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

C25H32N4O2 — CID 53098644

IUPACN-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCc1cccc(CN2CCN(C3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)C2=O)c1
InChIInChI=1S/C25H32N4O2/c1-18-5-4-6-21(15-18)17-28-13-14-29(25(28)31)23-9-11-27(12-10-23)24(30)26-22-8-7-19(2)20(3)16-22/h4-8,15-16,23H,9-14,17H2,1-3H3,(H,26,30)
InChIKeyPGDMSLMCHXZCKA-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.55
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (PubChem CID 53098644) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
PubChem CID53098644
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCc1cccc(CN2CCN(C3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)C2=O)c1
InChIInChI=1S/C25H32N4O2/c1-18-5-4-6-21(15-18)17-28-13-14-29(25(28)31)23-9-11-27(12-10-23)24(30)26-22-8-7-19(2)20(3)16-22/h4-8,15-16,23H,9-14,17H2,1-3H3,(H,26,30)
InChIKeyPGDMSLMCHXZCKA-UHFFFAOYSA-N
XLogP4.55
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (CID 53098644) is N-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)C2=O)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The InChIKey is PGDMSLMCHXZCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18-5-4-6-21(15-18)17-28-13-14-29(25(28)31)23-9-11-27(12-10-23)24(30)26-22-8-7-19(2)20(3)16-22/h4-8,15-16,23H,9-14,17H2,1-3H3,(H,26,30).
What are the key properties of N-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
N-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53098644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).