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

C99H160N22OS2 — CID 158363142

IUPACN,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
SMILESCN1CCC([C@@H]2CCCN2CC(=O)N(C)C)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
InChIInChI=1S/C16H24N2.2C15H23N3.C14H22N4.C14H27N3O.C13H21N3S.C12H20N4S/c1-17-12-9-14(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;1-15(2)14(18)11-17-8-4-5-13(17)12-6-9-16(3)10-7-12;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/h2-4,6-7,14,16H,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;12-13H,4-11H2,1-3H3;6,10-12H,2-5,7-9H2,1H3;9-11H,2-8H2,1H3/t16-;15-;14-;2*13-;12-;11-/m0000000/s1
InChIKeyGTSCIBAFLHYTRM-RVKBYJQGSA-N
MW1738.66 g/mol
LogP14.75
Rot. Bonds15

About 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

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 (PubChem CID 158363142) has the molecular formula C99H160N22OS2 and a molecular weight of 1738.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID158363142
Molecular FormulaC99H160N22OS2
Molecular Weight1738.66 g/mol
Exact Mass1737.26
IUPAC NameN,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
SMILESCN1CCC([C@@H]2CCCN2CC(=O)N(C)C)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
InChIInChI=1S/C16H24N2.2C15H23N3.C14H22N4.C14H27N3O.C13H21N3S.C12H20N4S/c1-17-12-9-14(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;1-15(2)14(18)11-17-8-4-5-13(17)12-6-9-16(3)10-7-12;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/h2-4,6-7,14,16H,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;12-13H,4-11H2,1-3H3;6,10-12H,2-5,7-9H2,1H3;9-11H,2-8H2,1H3/t16-;15-;14-;2*13-;12-;11-/m0000000/s1
InChIKeyGTSCIBAFLHYTRM-RVKBYJQGSA-N
XLogP14.75
TPSA155.90 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001738.66
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 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 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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC([C@@H]2CCCN2CC(=O)N(C)C)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.
What is the InChIKey of 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?
The InChIKey is GTSCIBAFLHYTRM-RVKBYJQGSA-N. The full InChI is InChI=1S/C16H24N2.2C15H23N3.C14H22N4.C14H27N3O.C13H21N3S.C12H20N4S/c1-17-12-9-14(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;1-15(2)14(18)11-17-8-4-5-13(17)12-6-9-16(3)10-7-12;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/h2-4,6-7,14,16H,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;12-13H,4-11H2,1-3H3;6,10-12H,2-5,7-9H2,1H3;9-11H,2-8H2,1H3/t16-;15-;14-;2*13-;12-;11-/m0000000/s1.
What are the key properties of 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?
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 has a molecular weight of 1738.66 g/mol, XLogP of 14.75, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158363142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).