4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide

C23H28N4O3 — CID 71886632

IUPAC4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(C)c(OC2CCN(C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)c1
InChIInChI=1S/C23H28N4O3/c1-16-6-7-17(2)21(14-16)30-20-8-11-26(12-9-20)23(29)25-18-4-3-5-19(15-18)27-13-10-24-22(27)28/h3-7,14-15,20H,8-13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyYAMLARHSGGBKOU-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.91
Rot. Bonds4

About 4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide

4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 71886632) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide
PubChem CID71886632
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(C)c(OC2CCN(C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)c1
InChIInChI=1S/C23H28N4O3/c1-16-6-7-17(2)21(14-16)30-20-8-11-26(12-9-20)23(29)25-18-4-3-5-19(15-18)27-13-10-24-22(27)28/h3-7,14-15,20H,8-13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyYAMLARHSGGBKOU-UHFFFAOYSA-N
XLogP3.91
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 55738186
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
3-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55717175
4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 55738184
2-cyclopentyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 71938993
4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672792
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731
4-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 90616963
4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55716802
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55831507
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide
CID 170508114

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide (CID 71886632) is 4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide is Cc1ccc(C)c(OC2CCN(C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)c1.
What is the InChIKey of 4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is YAMLARHSGGBKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16-6-7-17(2)21(14-16)30-20-8-11-26(12-9-20)23(29)25-18-4-3-5-19(15-18)27-13-10-24-22(27)28/h3-7,14-15,20H,8-13H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide?
4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 71886632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).