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

C17H21FN2O2 — CID 17310601

IUPAC1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCC1CCCCN1C(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN2O2/c1-12-4-2-3-9-19(12)17(22)13-10-16(21)20(11-13)15-7-5-14(18)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3
InChIKeyQRJBEMMHDFFHAN-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.58
Rot. Bonds2

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

1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 17310601) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID17310601
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCC1CCCCN1C(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN2O2/c1-12-4-2-3-9-19(12)17(22)13-10-16(21)20(11-13)15-7-5-14(18)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3
InChIKeyQRJBEMMHDFFHAN-UHFFFAOYSA-N
XLogP2.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 17310601) is 1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one is CC1CCCCN1C(=O)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is QRJBEMMHDFFHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12-4-2-3-9-19(12)17(22)13-10-16(21)20(11-13)15-7-5-14(18)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 304.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 17310601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).