4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

C19H27N3O2 — CID 119437039

IUPAC4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCCC3C(C)N)CC2=O)cc1
InChIInChI=1S/C19H27N3O2/c1-13-6-8-16(9-7-13)22-12-15(11-18(22)23)19(24)21-10-4-3-5-17(21)14(2)20/h6-9,14-15,17H,3-5,10-12,20H2,1-2H3
InChIKeyWSHDIRXICRLOGD-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.08
Rot. Bonds3

About 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 119437039) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID119437039
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCCC3C(C)N)CC2=O)cc1
InChIInChI=1S/C19H27N3O2/c1-13-6-8-16(9-7-13)22-12-15(11-18(22)23)19(24)21-10-4-3-5-17(21)14(2)20/h6-9,14-15,17H,3-5,10-12,20H2,1-2H3
InChIKeyWSHDIRXICRLOGD-UHFFFAOYSA-N
XLogP2.08
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one 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-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride
CID 119435914
(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 9375191
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 119434412
(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 9375187
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110023693
(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 92850355
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3S)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136562
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119437706
(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9389079
N-[4-[(4S)-4-[(2R)-2-methylpiperidine-1-carbonyl]-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 27210941
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 120571726

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 119437039) is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCCCC3C(C)N)CC2=O)cc1.
What is the InChIKey of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is WSHDIRXICRLOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-6-8-16(9-7-13)22-12-15(11-18(22)23)19(24)21-10-4-3-5-17(21)14(2)20/h6-9,14-15,17H,3-5,10-12,20H2,1-2H3.
What are the key properties of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 119437039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).