1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one

C18H23FN2O2 — CID 46110016

IUPAC1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCC1CCCCN1C(=O)C1CC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C18H23FN2O2/c1-13-6-4-5-9-21(13)18(23)15-10-17(22)20(12-15)11-14-7-2-3-8-16(14)19/h2-3,7-8,13,15H,4-6,9-12H2,1H3
InChIKeyIVOHDJJDJDEMHK-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.58
Rot. Bonds3

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

1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 46110016) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID46110016
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCC1CCCCN1C(=O)C1CC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C18H23FN2O2/c1-13-6-4-5-9-21(13)18(23)15-10-17(22)20(12-15)11-14-7-2-3-8-16(14)19/h2-3,7-8,13,15H,4-6,9-12H2,1H3
InChIKeyIVOHDJJDJDEMHK-UHFFFAOYSA-N
XLogP2.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
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-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 46110016) is 1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one is CC1CCCCN1C(=O)C1CC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is IVOHDJJDJDEMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-13-6-4-5-9-21(13)18(23)15-10-17(22)20(12-15)11-14-7-2-3-8-16(14)19/h2-3,7-8,13,15H,4-6,9-12H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 318.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 46110016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).