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

C79H120ClN13O4S — CID 157229136

IUPAC1-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
SMILESCC(C)N1CCCC1c1cccs1.CC(C)N1CCN(C(=O)CCC(=O)c2cc(Cl)ccn2)CC1.CC(C)N1CCN(CCc2ccccc2)CC1.CC(C)N1CCN(Cc2ccccc2)C(C#N)C1.Cc1cc(C2CCCN2C(C)C)no1.Cc1cc(C2CCCN2C(C)C)no1
InChIInChI=1S/C16H22ClN3O2.C15H21N3.C15H24N2.2C11H18N2O.C11H17NS/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;1-14(2)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15;2*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/h5-6,11-12H,3-4,7-10H2,1-2H3;3-7,13,15H,8-9,11-12H2,1-2H3;3-7,14H,8-13H2,1-2H3;2*7-8,11H,4-6H2,1-3H3;4,6,8-10H,3,5,7H2,1-2H3
InChIKeyATXBWRHNWLMHGB-UHFFFAOYSA-N
MW1383.44 g/mol
LogP14.96
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;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

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 (PubChem CID 157229136) has the molecular formula C79H120ClN13O4S and a molecular weight of 1383.44 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;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.

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;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
PubChem CID157229136
Molecular FormulaC79H120ClN13O4S
Molecular Weight1383.44 g/mol
Exact Mass1381.90
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;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
SMILESCC(C)N1CCCC1c1cccs1.CC(C)N1CCN(C(=O)CCC(=O)c2cc(Cl)ccn2)CC1.CC(C)N1CCN(CCc2ccccc2)CC1.CC(C)N1CCN(Cc2ccccc2)C(C#N)C1.Cc1cc(C2CCCN2C(C)C)no1.Cc1cc(C2CCCN2C(C)C)no1
InChIInChI=1S/C16H22ClN3O2.C15H21N3.C15H24N2.2C11H18N2O.C11H17NS/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;1-14(2)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15;2*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/h5-6,11-12H,3-4,7-10H2,1-2H3;3-7,13,15H,8-9,11-12H2,1-2H3;3-7,14H,8-13H2,1-2H3;2*7-8,11H,4-6H2,1-3H3;4,6,8-10H,3,5,7H2,1-2H3
InChIKeyATXBWRHNWLMHGB-UHFFFAOYSA-N
XLogP14.96
TPSA152.04 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001383.44
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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;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 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

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-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide
CID 20801154
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
N-[3-[(4-chloropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2,6-dimethylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridine-3-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 158838070
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
CID 160965374
CID 160965374
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

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;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?
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;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) 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;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.
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;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?
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;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 is CC(C)N1CCCC1c1cccs1.CC(C)N1CCN(C(=O)CCC(=O)c2cc(Cl)ccn2)CC1.CC(C)N1CCN(CCc2ccccc2)CC1.CC(C)N1CCN(Cc2ccccc2)C(C#N)C1.Cc1cc(C2CCCN2C(C)C)no1.Cc1cc(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;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?
The InChIKey is ATXBWRHNWLMHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2.C15H21N3.C15H24N2.2C11H18N2O.C11H17NS/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;1-14(2)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15;2*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/h5-6,11-12H,3-4,7-10H2,1-2H3;3-7,13,15H,8-9,11-12H2,1-2H3;3-7,14H,8-13H2,1-2H3;2*7-8,11H,4-6H2,1-3H3;4,6,8-10H,3,5,7H2,1-2H3.
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;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?
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 has a molecular weight of 1383.44 g/mol, XLogP of 14.96, 18 rotatable bonds, 0 hydrogen bond donors, and 17 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;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 is sourced from PubChem (CID 157229136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).