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

C19H29N3O2 — CID 91903591

IUPACN-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CCNC(=O)C(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-14(2)18(23)20-11-8-16-9-12-22(13-10-16)19(24)21-17-6-4-15(3)5-7-17/h4-7,14,16H,8-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyFRRJLAAIUVFNTI-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.40
Rot. Bonds5

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

N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide (PubChem CID 91903591) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
PubChem CID91903591
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CCNC(=O)C(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-14(2)18(23)20-11-8-16-9-12-22(13-10-16)19(24)21-17-6-4-15(3)5-7-17/h4-7,14,16H,8-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyFRRJLAAIUVFNTI-UHFFFAOYSA-N
XLogP3.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)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

4-[2-(cyclobutanecarbonylamino)ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913288
N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903683
4-[2-[(2-methoxybenzoyl)amino]ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913285
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
CID 52998818
4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20930657
3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 114802216
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide
CID 46381791
4-[2-[[(3S)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95065270

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide (CID 91903591) is N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(CCNC(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is FRRJLAAIUVFNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)18(23)20-11-8-16-9-12-22(13-10-16)19(24)21-17-6-4-15(3)5-7-17/h4-7,14,16H,8-13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide?
N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.40, 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-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 91903591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).