1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea

C21H31N3O2 — CID 10155286

IUPAC1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea
SMILESCC(=O)N1CCC(N(C)C(=O)NC2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H31N3O2/c1-16(25)24-14-12-20(13-15-24)23(2)21(26)22-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20H,8-15H2,1-2H3,(H,22,26)
InChIKeyYXJVHGRECXOLSW-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.37
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea

1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea (PubChem CID 10155286) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea
PubChem CID10155286
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea
SMILESCC(=O)N1CCC(N(C)C(=O)NC2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H31N3O2/c1-16(25)24-14-12-20(13-15-24)23(2)21(26)22-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20H,8-15H2,1-2H3,(H,22,26)
InChIKeyYXJVHGRECXOLSW-UHFFFAOYSA-N
XLogP3.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amperozide
CID 73333
Amperozide Hydrochloride
CID 73334
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2R)-N-[(2R)-6-amino-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]-4-methyl-2-[[(2R)-3-phenyl-2-[[2-[[(2R)-2-phenylpropyl]amino]acetyl]amino]propanoyl]amino]pentanamide
CID 132225744
1-(12-Methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)-3-(1-propanoylpiperidin-4-yl)urea
CID 146278147
N-(3,3-diphenylpropyl)acetamide
CID 5151463
1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45210433
N-[(1S)-3-[4-[benzylcarbamoyl(ethyl)amino]-1-piperidyl]-1-phenyl-butyl]cyclobutanecarboxamide
CID 44590750
3-Benzyl-piperidine-1-carboxylic acid adamantan-2-ylamide
CID 46231437
N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide
CID 46231440
N-(2-adamantyl)-4-phenylpiperidine-1-carboxamide
CID 46231441

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea (CID 10155286) is 1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea is CC(=O)N1CCC(N(C)C(=O)NC2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea?
The InChIKey is YXJVHGRECXOLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16(25)24-14-12-20(13-15-24)23(2)21(26)22-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20H,8-15H2,1-2H3,(H,22,26).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea?
1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea has a molecular weight of 357.50 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea is sourced from PubChem (CID 10155286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).