(3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide

C18H23FN4O3 — CID 42304508

IUPAC(3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCN1CCNC1=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C18H23FN4O3/c19-15-4-2-1-3-13(15)11-23-12-14(5-6-16(23)24)17(25)20-7-9-22-10-8-21-18(22)26/h1-4,14H,5-12H2,(H,20,25)(H,21,26)/t14-/m0/s1
InChIKeyCPFMAELRQACSAN-AWEZNQCLSA-N
MW362.41 g/mol
LogP0.71
Rot. Bonds6

About (3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide

(3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 42304508) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is (3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID42304508
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name(3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCN1CCNC1=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C18H23FN4O3/c19-15-4-2-1-3-13(15)11-23-12-14(5-6-16(23)24)17(25)20-7-9-22-10-8-21-18(22)26/h1-4,14H,5-12H2,(H,20,25)(H,21,26)/t14-/m0/s1
InChIKeyCPFMAELRQACSAN-AWEZNQCLSA-N
XLogP0.71
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
CID 51903346
1-[(2-fluorophenyl)methyl]-6-oxo-N-(4-pyrrolidin-1-ylbutyl)piperidine-3-carboxamide
CID 72852888
(3R)-N-[3-[cyclopentyl(methyl)amino]propyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25281331
(3S)-1-[(2-fluorophenyl)methyl]-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-6-oxopiperidine-3-carboxamide
CID 97114771
(3S)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxopiperidine-3-carboxamide
CID 25366722
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45250692
(3S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018474
1-[(2-fluorophenyl)methyl]-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxamide
CID 24790737
(3R)-N-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42360720
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
CID 24793091
(3S)-N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93017732
1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113184203

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide (CID 42304508) is (3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide is O=C(NCCN1CCNC1=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of (3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is CPFMAELRQACSAN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23FN4O3/c19-15-4-2-1-3-13(15)11-23-12-14(5-6-16(23)24)17(25)20-7-9-22-10-8-21-18(22)26/h1-4,14H,5-12H2,(H,20,25)(H,21,26)/t14-/m0/s1.
What are the key properties of (3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 42304508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).