N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide

C18H27N3O2 — CID 52998818

IUPACN-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
SMILESCCCNC(=O)CC1CCN(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-10-19-17(22)13-15-8-11-21(12-9-15)18(23)20-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyOMILJNCPICHFGS-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.16
Rot. Bonds5

About N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide

N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide (PubChem CID 52998818) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
PubChem CID52998818
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
SMILESCCCNC(=O)CC1CCN(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-10-19-17(22)13-15-8-11-21(12-9-15)18(23)20-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyOMILJNCPICHFGS-UHFFFAOYSA-N
XLogP3.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide 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

N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide
CID 52998822
4-[2-[[(3S)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95065270
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20930657
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide
CID 52998819
N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903591
4-[2-(cyclobutanecarbonylamino)ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913288
4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913330
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 48832439

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide (CID 52998818) is N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide is CCCNC(=O)CC1CCN(C(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is OMILJNCPICHFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-10-19-17(22)13-15-8-11-21(12-9-15)18(23)20-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide?
N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 52998818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).