N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride

C22H28ClN3O2S — CID 119550576

IUPACN-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(N2C(=O)CCC(C(=O)N(C)C3CCNC3)C2c2cccs2)cc1.Cl
InChIInChI=1S/C22H27N3O2S.ClH/c1-15-5-7-16(8-6-15)25-20(26)10-9-18(21(25)19-4-3-13-28-19)22(27)24(2)17-11-12-23-14-17;/h3-8,13,17-18,21,23H,9-12,14H2,1-2H3;1H
InChIKeyQPRUTAWUQJHRLI-UHFFFAOYSA-N
MW434.01 g/mol
LogP3.78
Rot. Bonds4

About N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride

N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119550576) has the molecular formula C22H28ClN3O2S and a molecular weight of 434.01 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119550576
Molecular FormulaC22H28ClN3O2S
Molecular Weight434.01 g/mol
Exact Mass433.16
IUPAC NameN-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(N2C(=O)CCC(C(=O)N(C)C3CCNC3)C2c2cccs2)cc1.Cl
InChIInChI=1S/C22H27N3O2S.ClH/c1-15-5-7-16(8-6-15)25-20(26)10-9-18(21(25)19-4-3-13-28-19)22(27)24(2)17-11-12-23-14-17;/h3-8,13,17-18,21,23H,9-12,14H2,1-2H3;1H
InChIKeyQPRUTAWUQJHRLI-UHFFFAOYSA-N
XLogP3.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride 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-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide
CID 119450128
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 112791851
N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 112789008
5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one
CID 56551216
(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26093966
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 112759795
N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 46517441
[2-(ethoxycarbonylamino)-2-oxoethyl] (2S,3R)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate
CID 41141563
(2R,3R)-N-[(2S)-1-methoxypropan-2-yl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 52892748
(2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 40986702
2-[[1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78828208
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 112794660

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride (CID 119550576) is N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride is Cc1ccc(N2C(=O)CCC(C(=O)N(C)C3CCNC3)C2c2cccs2)cc1.Cl.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is QPRUTAWUQJHRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S.ClH/c1-15-5-7-16(8-6-15)25-20(26)10-9-18(21(25)19-4-3-13-28-19)22(27)24(2)17-11-12-23-14-17;/h3-8,13,17-18,21,23H,9-12,14H2,1-2H3;1H.
What are the key properties of N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride?
N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 434.01 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119550576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).