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

C18H24N2O3 — CID 6461171

IUPAC1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCCC(C)C3)CC2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-13-4-3-9-19(11-13)18(22)14-10-17(21)20(12-14)15-5-7-16(23-2)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyUYCDERQROJRKOX-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.31
Rot. Bonds3

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

1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 6461171) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID6461171
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCCC(C)C3)CC2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-13-4-3-9-19(11-13)18(22)14-10-17(21)20(12-14)15-5-7-16(23-2)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyUYCDERQROJRKOX-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 6461171) is 1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCCC(C)C3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is UYCDERQROJRKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-4-3-9-19(11-13)18(22)14-10-17(21)20(12-14)15-5-7-16(23-2)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 6461171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).