1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine

C77H118ClN15O4S — CID 162239989

IUPAC1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine
SMILESCC(C)N1CCCC1c1cccs1.CC(C)N1CCN(C(=O)CCC(=O)c2cc(Cl)ccn2)CC1.CC(C)N1CCN(CCc2ccncc2)CC1.CC(C)N1CCN(Cc2ccccc2)C(C#N)C1.Cc1cc(C2CCCN2C(C)C)no1.Cc1nc(C2CCCN2C(C)C)no1
InChIInChI=1S/C16H22ClN3O2.C15H21N3.C14H23N3.C11H18N2O.C11H17NS.C10H17N3O/c1-12(2)19-7-9-20(10-8-19)16(22)4-3-15(21)14-11-13(17)5-6-18-14;1-13(2)17-8-9-18(15(10-16)12-17)11-14-6-4-3-5-7-14;1-13(2)17-11-9-16(10-12-17)8-5-14-3-6-15-7-4-14;1-8(2)13-6-4-5-11(13)10-7-9(3)14-12-10;1-9(2)12-7-3-5-10(12)11-6-4-8-13-11;1-7(2)13-6-4-5-9(13)10-11-8(3)14-12-10/h5-6,11-12H,3-4,7-10H2,1-2H3;3-7,13,15H,8-9,11-12H2,1-2H3;3-4,6-7,13H,5,8-12H2,1-2H3;7-8,11H,4-6H2,1-3H3;4,6,8-10H,3,5,7H2,1-2H3;7,9H,4-6H2,1-3H3
InChIKeyZWOLTSLNMAAJEY-UHFFFAOYSA-N
MW1385.41 g/mol
LogP13.75
Rot. Bonds18

About 1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine

1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine (PubChem CID 162239989) has the molecular formula C77H118ClN15O4S and a molecular weight of 1385.41 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine
PubChem CID162239989
Molecular FormulaC77H118ClN15O4S
Molecular Weight1385.41 g/mol
Exact Mass1383.89
IUPAC Name1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine
SMILESCC(C)N1CCCC1c1cccs1.CC(C)N1CCN(C(=O)CCC(=O)c2cc(Cl)ccn2)CC1.CC(C)N1CCN(CCc2ccncc2)CC1.CC(C)N1CCN(Cc2ccccc2)C(C#N)C1.Cc1cc(C2CCCN2C(C)C)no1.Cc1nc(C2CCCN2C(C)C)no1
InChIInChI=1S/C16H22ClN3O2.C15H21N3.C14H23N3.C11H18N2O.C11H17NS.C10H17N3O/c1-12(2)19-7-9-20(10-8-19)16(22)4-3-15(21)14-11-13(17)5-6-18-14;1-13(2)17-8-9-18(15(10-16)12-17)11-14-6-4-3-5-7-14;1-13(2)17-11-9-16(10-12-17)8-5-14-3-6-15-7-4-14;1-8(2)13-6-4-5-11(13)10-7-9(3)14-12-10;1-9(2)12-7-3-5-10(12)11-6-4-8-13-11;1-7(2)13-6-4-5-9(13)10-11-8(3)14-12-10/h5-6,11-12H,3-4,7-10H2,1-2H3;3-7,13,15H,8-9,11-12H2,1-2H3;3-4,6-7,13H,5,8-12H2,1-2H3;7-8,11H,4-6H2,1-3H3;4,6,8-10H,3,5,7H2,1-2H3;7,9H,4-6H2,1-3H3
InChIKeyZWOLTSLNMAAJEY-UHFFFAOYSA-N
XLogP13.75
TPSA177.82 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001385.41
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine with MolForge

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Related Compounds

4-chloro-N-[2-[4-[4-[2-[4-[5-(5-methyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]thiophen-2-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 129301642
1-benzyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carbonitrile;4-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide;5-methyl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1,2,4-oxadiazole;5-methyl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazole;2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine;2-(2-thiophen-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 159392902
1-benzyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carbonitrile;4-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide;N-[C-[3-(3,4-dimethoxyphenyl)propyl]-N-(4,6-dimethylpyrimidin-2-yl)carbonimidoyl]-2-phenylacetamide;5-methyl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1,2,4-oxadiazole;5-methyl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazole;2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine;2-(2-thiophen-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 163421827
1-Benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;bis(5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole);1-(2-phenylethyl)-4-propan-2-ylpiperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine
CID 157229136
1-Benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;methane;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-(2-phenylethyl)-4-propan-2-ylpiperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine
CID 157561948
1-Benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;methane;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-(2-phenylethyl)-4-propan-2-ylpiperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine
CID 157810494
1-Benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-(2-phenylethyl)-4-propan-2-ylpiperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine
CID 160379551
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(5-methyl-2-pyridinyl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(4-methylpyrimidin-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-4-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyrrolidin-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-thiophen-2-ylphenyl)ethane-1,2-dione
CID 160725601

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine (CID 162239989) is 1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine is CC(C)N1CCCC1c1cccs1.CC(C)N1CCN(C(=O)CCC(=O)c2cc(Cl)ccn2)CC1.CC(C)N1CCN(CCc2ccncc2)CC1.CC(C)N1CCN(Cc2ccccc2)C(C#N)C1.Cc1cc(C2CCCN2C(C)C)no1.Cc1nc(C2CCCN2C(C)C)no1.
What is the InChIKey of 1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine?
The InChIKey is ZWOLTSLNMAAJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2.C15H21N3.C14H23N3.C11H18N2O.C11H17NS.C10H17N3O/c1-12(2)19-7-9-20(10-8-19)16(22)4-3-15(21)14-11-13(17)5-6-18-14;1-13(2)17-8-9-18(15(10-16)12-17)11-14-6-4-3-5-7-14;1-13(2)17-11-9-16(10-12-17)8-5-14-3-6-15-7-4-14;1-8(2)13-6-4-5-11(13)10-7-9(3)14-12-10;1-9(2)12-7-3-5-10(12)11-6-4-8-13-11;1-7(2)13-6-4-5-9(13)10-11-8(3)14-12-10/h5-6,11-12H,3-4,7-10H2,1-2H3;3-7,13,15H,8-9,11-12H2,1-2H3;3-4,6-7,13H,5,8-12H2,1-2H3;7-8,11H,4-6H2,1-3H3;4,6,8-10H,3,5,7H2,1-2H3;7,9H,4-6H2,1-3H3.
What are the key properties of 1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine?
1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine has a molecular weight of 1385.41 g/mol, XLogP of 13.75, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-propan-2-ylpiperazine-2-carbonitrile;1-(4-chloro-2-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole;5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazole;1-propan-2-yl-4-(2-pyridin-4-ylethyl)piperazine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 162239989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).