N-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide

C24H29FN4O2 — CID 53098467

IUPACN-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1
InChIInChI=1S/C24H29FN4O2/c1-17-13-18(2)15-21(14-17)26-23(30)27-9-7-22(8-10-27)29-12-11-28(24(29)31)16-19-3-5-20(25)6-4-19/h3-6,13-15,22H,7-12,16H2,1-2H3,(H,26,30)
InChIKeyUNDZFWSINZYPCG-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.38
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide

N-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (PubChem CID 53098467) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
PubChem CID53098467
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1
InChIInChI=1S/C24H29FN4O2/c1-17-13-18(2)15-21(14-17)26-23(30)27-9-7-22(8-10-27)29-12-11-28(24(29)31)16-19-3-5-20(25)6-4-19/h3-6,13-15,22H,7-12,16H2,1-2H3,(H,26,30)
InChIKeyUNDZFWSINZYPCG-UHFFFAOYSA-N
XLogP4.38
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (CID 53098467) is N-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The InChIKey is UNDZFWSINZYPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-17-13-18(2)15-21(14-17)26-23(30)27-9-7-22(8-10-27)29-12-11-28(24(29)31)16-19-3-5-20(25)6-4-19/h3-6,13-15,22H,7-12,16H2,1-2H3,(H,26,30).
What are the key properties of N-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
N-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53098467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).