4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide

C22H25BrN4O2 — CID 53098595

IUPAC4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C22H25BrN4O2/c23-19-8-4-5-9-20(19)24-21(28)25-12-10-18(11-13-25)27-15-14-26(22(27)29)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,24,28)
InChIKeyGDXMVNYOALGJDW-UHFFFAOYSA-N
MW457.37 g/mol
LogP4.38
Rot. Bonds4

About 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide

4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide (PubChem CID 53098595) has the molecular formula C22H25BrN4O2 and a molecular weight of 457.37 g/mol. Its IUPAC name is 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide
PubChem CID53098595
Molecular FormulaC22H25BrN4O2
Molecular Weight457.37 g/mol
Exact Mass456.12
IUPAC Name4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C22H25BrN4O2/c23-19-8-4-5-9-20(19)24-21(28)25-12-10-18(11-13-25)27-15-14-26(22(27)29)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,24,28)
InChIKeyGDXMVNYOALGJDW-UHFFFAOYSA-N
XLogP4.38
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 53098591
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 53098611
N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098535
N-(2,3-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098642
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 53098629
(3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95101218
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 53030710
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
1-benzyl-3-[1-(4-fluorobenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 50789317
2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608695
4-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 53029131
N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098533

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide (CID 53098595) is 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide is O=C(Nc1ccccc1Br)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1.
What is the InChIKey of 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide?
The InChIKey is GDXMVNYOALGJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4O2/c23-19-8-4-5-9-20(19)24-21(28)25-12-10-18(11-13-25)27-15-14-26(22(27)29)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,24,28).
What are the key properties of 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide?
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide has a molecular weight of 457.37 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 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 53098595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).