4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one

C24H28N2O3 — CID 113190122

IUPAC4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one
SMILESCC1CCN(C(=O)C2CC(=O)N(c3ccc(OCc4ccccc4)cc3)C2)CC1
InChIInChI=1S/C24H28N2O3/c1-18-11-13-25(14-12-18)24(28)20-15-23(27)26(16-20)21-7-9-22(10-8-21)29-17-19-5-3-2-4-6-19/h2-10,18,20H,11-17H2,1H3
InChIKeyQMTMOWZIHYETNT-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.88
Rot. Bonds5

About 4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one

4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one (PubChem CID 113190122) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one
PubChem CID113190122
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one
SMILESCC1CCN(C(=O)C2CC(=O)N(c3ccc(OCc4ccccc4)cc3)C2)CC1
InChIInChI=1S/C24H28N2O3/c1-18-11-13-25(14-12-18)24(28)20-15-23(27)26(16-20)21-7-9-22(10-8-21)29-17-19-5-3-2-4-6-19/h2-10,18,20H,11-17H2,1H3
InChIKeyQMTMOWZIHYETNT-UHFFFAOYSA-N
XLogP3.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
(4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 40979119
4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one
CID 113189924
N-cyclohexyl-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190121
4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 47004545
1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6494501
(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride
CID 163328056
4-(4-benzylpiperidine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 2963137
(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone
CID 6963042
5-oxo-1-phenyl-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080562
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one (CID 113190122) is 4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one is CC1CCN(C(=O)C2CC(=O)N(c3ccc(OCc4ccccc4)cc3)C2)CC1.
What is the InChIKey of 4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one?
The InChIKey is QMTMOWZIHYETNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-18-11-13-25(14-12-18)24(28)20-15-23(27)26(16-20)21-7-9-22(10-8-21)29-17-19-5-3-2-4-6-19/h2-10,18,20H,11-17H2,1H3.
What are the key properties of 4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one?
4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.88, 5 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-phenylmethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 113190122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).