4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole

C115H181N25OS2 — CID 160577856

IUPAC4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
SMILESCN1CCC([C@@H]2CCCN2Cc2ccccc2)CC1.CN1CCC([C@@H]2CCCN2c2ccccc2)CC1.CN1CCC([C@@H]2CCCN2c2ccccn2)CC1.CN1CCC([C@@H]2CCCN2c2ccncc2)CC1.CN1CCC([C@@H]2CCCN2c2ncccn2)CC1.CN1CCC([C@@H]2CCCN2c2nccs2)CC1.CN1CCC([C@@H]2CCCN2c2nncs2)CC1.Cc1nnc(N2CCC[C@H]2C2CCN(C)CC2)o1
InChIInChI=1S/C17H26N2.C16H24N2.2C15H23N3.C14H22N4.C13H22N4O.C13H21N3S.C12H20N4S/c1-18-12-9-16(10-13-18)17-8-5-11-19(17)14-15-6-3-2-4-7-15;1-17-12-9-14(10-13-17)16-8-5-11-18(16)15-6-3-2-4-7-15;1-17-11-6-13(7-12-17)15-3-2-10-18(15)14-4-8-16-9-5-14;1-17-11-7-13(8-12-17)14-5-4-10-18(14)15-6-2-3-9-16-15;1-17-10-5-12(6-11-17)13-4-2-9-18(13)14-15-7-3-8-16-14;1-10-14-15-13(18-10)17-7-3-4-12(17)11-5-8-16(2)9-6-11;1-15-8-4-11(5-9-15)12-3-2-7-16(12)13-14-6-10-17-13;1-15-7-4-10(5-8-15)11-3-2-6-16(11)12-14-13-9-17-12/h2-4,6-7,16-17H,5,8-14H2,1H3;2-4,6-7,14,16H,5,8-13H2,1H3;4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3;2-3,6,9,13-14H,4-5,7-8,10-12H2,1H3;3,7-8,12-13H,2,4-6,9-11H2,1H3;11-12H,3-9H2,1-2H3;6,10-12H,2-5,7-9H2,1H3;9-11H,2-8H2,1H3/t17-;16-;15-;14-;13-;2*12-;11-/m00000000/s1
InChIKeyRBJRGOVXZKCADR-LMLDFCDNSA-N
MW1994.02 g/mol
LogP18.55
Rot. Bonds17

About 4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole

4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole (PubChem CID 160577856) has the molecular formula C115H181N25OS2 and a molecular weight of 1994.02 g/mol. Its IUPAC name is 4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
PubChem CID160577856
Molecular FormulaC115H181N25OS2
Molecular Weight1994.02 g/mol
Exact Mass1992.43
IUPAC Name4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
SMILESCN1CCC([C@@H]2CCCN2Cc2ccccc2)CC1.CN1CCC([C@@H]2CCCN2c2ccccc2)CC1.CN1CCC([C@@H]2CCCN2c2ccccn2)CC1.CN1CCC([C@@H]2CCCN2c2ccncc2)CC1.CN1CCC([C@@H]2CCCN2c2ncccn2)CC1.CN1CCC([C@@H]2CCCN2c2nccs2)CC1.CN1CCC([C@@H]2CCCN2c2nncs2)CC1.Cc1nnc(N2CCC[C@H]2C2CCN(C)CC2)o1
InChIInChI=1S/C17H26N2.C16H24N2.2C15H23N3.C14H22N4.C13H22N4O.C13H21N3S.C12H20N4S/c1-18-12-9-16(10-13-18)17-8-5-11-19(17)14-15-6-3-2-4-7-15;1-17-12-9-14(10-13-17)16-8-5-11-18(16)15-6-3-2-4-7-15;1-17-11-6-13(7-12-17)15-3-2-10-18(15)14-4-8-16-9-5-14;1-17-11-7-13(8-12-17)14-5-4-10-18(14)15-6-2-3-9-16-15;1-17-10-5-12(6-11-17)13-4-2-9-18(13)14-15-7-3-8-16-14;1-10-14-15-13(18-10)17-7-3-4-12(17)11-5-8-16(2)9-6-11;1-15-8-4-11(5-9-15)12-3-2-7-16(12)13-14-6-10-17-13;1-15-7-4-10(5-8-15)11-3-2-6-16(11)12-14-13-9-17-12/h2-4,6-7,16-17H,5,8-14H2,1H3;2-4,6-7,14,16H,5,8-13H2,1H3;4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3;2-3,6,9,13-14H,4-5,7-8,10-12H2,1H3;3,7-8,12-13H,2,4-6,9-11H2,1H3;11-12H,3-9H2,1-2H3;6,10-12H,2-5,7-9H2,1H3;9-11H,2-8H2,1H3/t17-;16-;15-;14-;13-;2*12-;11-/m00000000/s1
InChIKeyRBJRGOVXZKCADR-LMLDFCDNSA-N
XLogP18.55
TPSA180.99 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001994.02
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157257546
CID 157257546
2-[4-[2-[3-[2-Methyl-4-[3-[5-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]pyrazol-1-ium-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 123384973
Cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)
CID 157122711
4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)pyrrolidine-1-carbaldehyde;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 157825401
1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine;bis(1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine);1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-(pyridazin-4-ylmethyl)piperidin-4-amine
CID 157960366
Bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole)
CID 158012572
N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 158363142
2-[1-[(2-Fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
CID 158570631
4-Benzyl-2-tert-butyl-1,3-thiazole;bis(2-tert-butyl-4,6-dimethylpyrimidine);2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole
CID 158717637
Cumene;1-ethyl-5-methyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylimidazole;methane;1-methyl-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine;2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole
CID 158768451
N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 158788915
2-[1-[(2-Fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
CID 158933480

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole?
The IUPAC name of 4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole (CID 160577856) is 4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole is CN1CCC([C@@H]2CCCN2Cc2ccccc2)CC1.CN1CCC([C@@H]2CCCN2c2ccccc2)CC1.CN1CCC([C@@H]2CCCN2c2ccccn2)CC1.CN1CCC([C@@H]2CCCN2c2ccncc2)CC1.CN1CCC([C@@H]2CCCN2c2ncccn2)CC1.CN1CCC([C@@H]2CCCN2c2nccs2)CC1.CN1CCC([C@@H]2CCCN2c2nncs2)CC1.Cc1nnc(N2CCC[C@H]2C2CCN(C)CC2)o1.
What is the InChIKey of 4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is RBJRGOVXZKCADR-LMLDFCDNSA-N. The full InChI is InChI=1S/C17H26N2.C16H24N2.2C15H23N3.C14H22N4.C13H22N4O.C13H21N3S.C12H20N4S/c1-18-12-9-16(10-13-18)17-8-5-11-19(17)14-15-6-3-2-4-7-15;1-17-12-9-14(10-13-17)16-8-5-11-18(16)15-6-3-2-4-7-15;1-17-11-6-13(7-12-17)15-3-2-10-18(15)14-4-8-16-9-5-14;1-17-11-7-13(8-12-17)14-5-4-10-18(14)15-6-2-3-9-16-15;1-17-10-5-12(6-11-17)13-4-2-9-18(13)14-15-7-3-8-16-14;1-10-14-15-13(18-10)17-7-3-4-12(17)11-5-8-16(2)9-6-11;1-15-8-4-11(5-9-15)12-3-2-7-16(12)13-14-6-10-17-13;1-15-7-4-10(5-8-15)11-3-2-6-16(11)12-14-13-9-17-12/h2-4,6-7,16-17H,5,8-14H2,1H3;2-4,6-7,14,16H,5,8-13H2,1H3;4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3;2-3,6,9,13-14H,4-5,7-8,10-12H2,1H3;3,7-8,12-13H,2,4-6,9-11H2,1H3;11-12H,3-9H2,1-2H3;6,10-12H,2-5,7-9H2,1H3;9-11H,2-8H2,1H3/t17-;16-;15-;14-;13-;2*12-;11-/m00000000/s1.
What are the key properties of 4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole?
4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 1994.02 g/mol, XLogP of 18.55, 17 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 160577856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).