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

C17H21ClN2O2 — CID 6463672

IUPAC1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCC1CCCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C17H21ClN2O2/c1-12-3-2-8-19(10-12)17(22)13-9-16(21)20(11-13)15-6-4-14(18)5-7-15/h4-7,12-13H,2-3,8-11H2,1H3
InChIKeyXVLCLMUDRXFEFJ-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.95
Rot. Bonds2

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

1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 6463672) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID6463672
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCC1CCCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C17H21ClN2O2/c1-12-3-2-8-19(10-12)17(22)13-9-16(21)20(11-13)15-6-4-14(18)5-7-15/h4-7,12-13H,2-3,8-11H2,1H3
InChIKeyXVLCLMUDRXFEFJ-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 6463672) is 1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one is CC1CCCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is XVLCLMUDRXFEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-12-3-2-8-19(10-12)17(22)13-9-16(21)20(11-13)15-6-4-14(18)5-7-15/h4-7,12-13H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 320.82 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 6463672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).