1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea

C21H33N3O — CID 86895951

IUPAC1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
SMILESCc1ccc(CN2CCC(CNC(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H33N3O/c1-17-7-9-19(10-8-17)16-24-13-11-18(12-14-24)15-22-21(25)23-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-16H2,1H3,(H2,22,23,25)
InChIKeyQMNOJSOANDEUBQ-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.84
Rot. Bonds5

About 1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea

1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea (PubChem CID 86895951) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
PubChem CID86895951
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
SMILESCc1ccc(CN2CCC(CNC(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H33N3O/c1-17-7-9-19(10-8-17)16-24-13-11-18(12-14-24)15-22-21(25)23-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-16H2,1H3,(H2,22,23,25)
InChIKeyQMNOJSOANDEUBQ-UHFFFAOYSA-N
XLogP3.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]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

1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
1-(3-hydroxypropyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 111106672
4-(cyclohexylcarbamoylamino)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]butanamide
CID 52785512
1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609182
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
ethyl 4-[[N'-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111789470
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea
CID 22430442
1-[(4-methylphenyl)methyl]-3-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609242
4-(1,3-dithian-2-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]benzamide
CID 86896852

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea (CID 86895951) is 1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea is Cc1ccc(CN2CCC(CNC(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea?
The InChIKey is QMNOJSOANDEUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-17-7-9-19(10-8-17)16-24-13-11-18(12-14-24)15-22-21(25)23-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-16H2,1H3,(H2,22,23,25).
What are the key properties of 1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea?
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea has a molecular weight of 343.51 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea is sourced from PubChem (CID 86895951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).