4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one

C23H33N3O2 — CID 113189924

IUPAC4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one
SMILESCC1CCN(C(=O)C2CC(=O)N(c3ccc(N4CCC(C)CC4)cc3)C2)CC1
InChIInChI=1S/C23H33N3O2/c1-17-7-11-24(12-8-17)20-3-5-21(6-4-20)26-16-19(15-22(26)27)23(28)25-13-9-18(2)10-14-25/h3-6,17-19H,7-16H2,1-2H3
InChIKeyLCIAWOBZDXFWFH-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.53
Rot. Bonds3

About 4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one

4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one (PubChem CID 113189924) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one
PubChem CID113189924
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one
SMILESCC1CCN(C(=O)C2CC(=O)N(c3ccc(N4CCC(C)CC4)cc3)C2)CC1
InChIInChI=1S/C23H33N3O2/c1-17-7-11-24(12-8-17)20-3-5-21(6-4-20)26-16-19(15-22(26)27)23(28)25-13-9-18(2)10-14-25/h3-6,17-19H,7-16H2,1-2H3
InChIKeyLCIAWOBZDXFWFH-UHFFFAOYSA-N
XLogP3.53
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
(4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 40979119
1-(4-chlorophenyl)-4-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336093
(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 41168133
4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one
CID 113190122
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 17081750
(4S)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9254747
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113189916
N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189917
1-(4-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 44828263
1-(4-chlorophenyl)-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082169

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one (CID 113189924) is 4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one is CC1CCN(C(=O)C2CC(=O)N(c3ccc(N4CCC(C)CC4)cc3)C2)CC1.
What is the InChIKey of 4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one?
The InChIKey is LCIAWOBZDXFWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-17-7-11-24(12-8-17)20-3-5-21(6-4-20)26-16-19(15-22(26)27)23(28)25-13-9-18(2)10-14-25/h3-6,17-19H,7-16H2,1-2H3.
What are the key properties of 4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one?
4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one has a molecular weight of 383.54 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 113189924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).