N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide

C21H26N2O2S — CID 86934220

IUPACN-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)CCc2cccs2)cc1
InChIInChI=1S/C21H26N2O2S/c1-17-7-9-18(10-8-17)23(16-21(25)22-13-3-2-4-14-22)20(24)12-11-19-6-5-15-26-19/h5-10,15H,2-4,11-14,16H2,1H3
InChIKeyLTXBPQKFBCEMFK-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.03
Rot. Bonds6

About N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide

N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide (PubChem CID 86934220) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
PubChem CID86934220
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)CCc2cccs2)cc1
InChIInChI=1S/C21H26N2O2S/c1-17-7-9-18(10-8-17)23(16-21(25)22-13-3-2-4-14-22)20(24)12-11-19-6-5-15-26-19/h5-10,15H,2-4,11-14,16H2,1H3
InChIKeyLTXBPQKFBCEMFK-UHFFFAOYSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide 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

3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 86934270
N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86934242
1-[3-(4-methylbenzoyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110394634
N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 86934310
3-(4-methylphenyl)-1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798620
3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 86934196
2-amino-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39360719
1-[(4S)-4-(dimethylamino)azepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95726421
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-3-thiophen-2-ylpropan-1-one
CID 9117209
1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 154758120
2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 86934178
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide (CID 86934220) is N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide is Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)CCc2cccs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide?
The InChIKey is LTXBPQKFBCEMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-17-7-9-18(10-8-17)23(16-21(25)22-13-3-2-4-14-22)20(24)12-11-19-6-5-15-26-19/h5-10,15H,2-4,11-14,16H2,1H3.
What are the key properties of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide?
N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide has a molecular weight of 370.52 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 86934220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).