1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one

C18H24N2O3 — CID 110374168

IUPAC1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2C(=O)CCC2C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-13-4-3-11-19(12-13)18(22)16-9-10-17(21)20(16)14-5-7-15(23-2)8-6-14/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyJTWLWKRMPMTPIN-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.45
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one

1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 110374168) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID110374168
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2C(=O)CCC2C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-13-4-3-11-19(12-13)18(22)16-9-10-17(21)20(16)14-5-7-15(23-2)8-6-14/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyJTWLWKRMPMTPIN-UHFFFAOYSA-N
XLogP2.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110374158
5-[3-(ethoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110610314
(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one
CID 41207711
2,3-bis(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)-3,4-dihydroisoquinolin-1-one
CID 22334203
5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110416840
(3R)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylpiperidine-1-carboxamide
CID 7544881
CID 11494152
CID 11494152
(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 95326859
6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 53298050
1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113185434
6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid
CID 69273581
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 898049

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 110374168) is 1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one is COc1ccc(N2C(=O)CCC2C(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is JTWLWKRMPMTPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-4-3-11-19(12-13)18(22)16-9-10-17(21)20(16)14-5-7-15(23-2)8-6-14/h5-8,13,16H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110374168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).