N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide

C22H31N3O2 — CID 76859310

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
SMILESCCN1CCCC1CNC(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c1-2-24-14-6-9-20(24)17-23-22(27)19-12-15-25(16-13-19)21(26)11-10-18-7-4-3-5-8-18/h3-5,7-8,10-11,19-20H,2,6,9,12-17H2,1H3,(H,23,27)
InChIKeyJKLJNRUPNQAQGS-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.54
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide (PubChem CID 76859310) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
PubChem CID76859310
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
SMILESCCN1CCCC1CNC(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c1-2-24-14-6-9-20(24)17-23-22(27)19-12-15-25(16-13-19)21(26)11-10-18-7-4-3-5-8-18/h3-5,7-8,10-11,19-20H,2,6,9,12-17H2,1H3,(H,23,27)
InChIKeyJKLJNRUPNQAQGS-UHFFFAOYSA-N
XLogP2.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-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-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 18168423
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
1-[(E)-3-phenylprop-2-enoyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 46461401
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 136516685
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 40900290
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 103598368
N-benzyl-1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 26456578
1-[(E)-3-phenylprop-2-enoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 24644222
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46959605
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
[1-oxo-1-(propylamino)propan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate
CID 55424115

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide (CID 76859310) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide is CCN1CCCC1CNC(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The InChIKey is JKLJNRUPNQAQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-2-24-14-6-9-20(24)17-23-22(27)19-12-15-25(16-13-19)21(26)11-10-18-7-4-3-5-8-18/h3-5,7-8,10-11,19-20H,2,6,9,12-17H2,1H3,(H,23,27).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide is sourced from PubChem (CID 76859310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).