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

C22H30N2O2 — CID 42937923

IUPAC1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(CCC2CCN(C(=O)C3CC(=O)N(C4CC4)C3)CC2)cc1
InChIInChI=1S/C22H30N2O2/c1-16-2-4-17(5-3-16)6-7-18-10-12-23(13-11-18)22(26)19-14-21(25)24(15-19)20-8-9-20/h2-5,18-20H,6-15H2,1H3
InChIKeyWILBNGHTEUGMRJ-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.18
Rot. Bonds5

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

1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 42937923) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID42937923
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(CCC2CCN(C(=O)C3CC(=O)N(C4CC4)C3)CC2)cc1
InChIInChI=1S/C22H30N2O2/c1-16-2-4-17(5-3-16)6-7-18-10-12-23(13-11-18)22(26)19-14-21(25)24(15-19)20-8-9-20/h2-5,18-20H,6-15H2,1H3
InChIKeyWILBNGHTEUGMRJ-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119275901
(4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one
CID 94878414
[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928091
[(1S,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928092
1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 48873833
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619320
4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 15996954
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119275906
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 124696685
2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid
CID 119178799
4-(4-benzylpiperidine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 2963137
4-(4-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119373158

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 42937923) is 1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(CCC2CCN(C(=O)C3CC(=O)N(C4CC4)C3)CC2)cc1.
What is the InChIKey of 1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is WILBNGHTEUGMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16-2-4-17(5-3-16)6-7-18-10-12-23(13-11-18)22(26)19-14-21(25)24(15-19)20-8-9-20/h2-5,18-20H,6-15H2,1H3.
What are the key properties of 1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one?
1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 354.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 42937923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).