4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

C24H29FN4O2 — CID 53098498

IUPAC4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C24H29FN4O2/c25-21-8-6-20(7-9-21)18-28-16-17-29(24(28)31)22-11-14-27(15-12-22)23(30)26-13-10-19-4-2-1-3-5-19/h1-9,22H,10-18H2,(H,26,30)
InChIKeyXEWNPUDPWSKHJD-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.48
Rot. Bonds6

About 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 53098498) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID53098498
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C24H29FN4O2/c25-21-8-6-20(7-9-21)18-28-16-17-29(24(28)31)22-11-14-27(15-12-22)23(30)26-13-10-19-4-2-1-3-5-19/h1-9,22H,10-18H2,(H,26,30)
InChIKeyXEWNPUDPWSKHJD-UHFFFAOYSA-N
XLogP3.48
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
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N-benzyl-4-cyclopentylpiperazine-1-carboxamide
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CID 10115592
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613
3-(1-Benzyl-azepin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125370
1-methyl-3-(R)-[4,4-Bis-(4-fluoro-phenyl)-2-oxo-imidazolidin-1-yl]-1-phenethyl-pyrrolidinium
CID 16664965

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 53098498) is 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is O=C(NCCc1ccccc1)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is XEWNPUDPWSKHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c25-21-8-6-20(7-9-21)18-28-16-17-29(24(28)31)22-11-14-27(15-12-22)23(30)26-13-10-19-4-2-1-3-5-19/h1-9,22H,10-18H2,(H,26,30).
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 53098498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).