1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one

C18H23ClN2O2 — CID 17080863

IUPAC1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCCC3C)CC2=O)cc1Cl
InChIInChI=1S/C18H23ClN2O2/c1-12-6-7-15(10-16(12)19)21-11-14(9-17(21)22)18(23)20-8-4-3-5-13(20)2/h6-7,10,13-14H,3-5,8-9,11H2,1-2H3
InChIKeyRGEUPUYRDGWAEL-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.40
Rot. Bonds2

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

1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 17080863) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID17080863
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCCC3C)CC2=O)cc1Cl
InChIInChI=1S/C18H23ClN2O2/c1-12-6-7-15(10-16(12)19)21-11-14(9-17(21)22)18(23)20-8-4-3-5-13(20)2/h6-7,10,13-14H,3-5,8-9,11H2,1-2H3
InChIKeyRGEUPUYRDGWAEL-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 17080863) is 1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCCCC3C)CC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is RGEUPUYRDGWAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-12-6-7-15(10-16(12)19)21-11-14(9-17(21)22)18(23)20-8-4-3-5-13(20)2/h6-7,10,13-14H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 334.85 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 17080863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).