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

C24H29FN4O2 — CID 53098688

IUPACN-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCc1cccc(CN2CCN(C3CCN(C(=O)NCc4ccc(F)cc4)CC3)C2=O)c1
InChIInChI=1S/C24H29FN4O2/c1-18-3-2-4-20(15-18)17-28-13-14-29(24(28)31)22-9-11-27(12-10-22)23(30)26-16-19-5-7-21(25)8-6-19/h2-8,15,22H,9-14,16-17H2,1H3,(H,26,30)
InChIKeyANIBOHNSUYEEEH-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.75
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (PubChem CID 53098688) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
PubChem CID53098688
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCc1cccc(CN2CCN(C3CCN(C(=O)NCc4ccc(F)cc4)CC3)C2=O)c1
InChIInChI=1S/C24H29FN4O2/c1-18-3-2-4-20(15-18)17-28-13-14-29(24(28)31)22-9-11-27(12-10-22)23(30)26-16-19-5-7-21(25)8-6-19/h2-8,15,22H,9-14,16-17H2,1H3,(H,26,30)
InChIKeyANIBOHNSUYEEEH-UHFFFAOYSA-N
XLogP3.75
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (CID 53098688) is N-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is Cc1cccc(CN2CCN(C3CCN(C(=O)NCc4ccc(F)cc4)CC3)C2=O)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The InChIKey is ANIBOHNSUYEEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-18-3-2-4-20(15-18)17-28-13-14-29(24(28)31)22-9-11-27(12-10-22)23(30)26-16-19-5-7-21(25)8-6-19/h2-8,15,22H,9-14,16-17H2,1H3,(H,26,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53098688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).