1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea

C13H16N4O — CID 113436695

IUPAC1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea
SMILESN#Cc1ccc(NC(=O)N[C@@H]2CCCNC2)cc1
InChIInChI=1S/C13H16N4O/c14-8-10-3-5-11(6-4-10)16-13(18)17-12-2-1-7-15-9-12/h3-6,12,15H,1-2,7,9H2,(H2,16,17,18)/t12-/m1/s1
InChIKeyWVWMEYRMYTXSSR-GFCCVEGCSA-N
MW244.30 g/mol
LogP1.43
Rot. Bonds2

About 1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea

1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea (PubChem CID 113436695) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea
PubChem CID113436695
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea
SMILESN#Cc1ccc(NC(=O)N[C@@H]2CCCNC2)cc1
InChIInChI=1S/C13H16N4O/c14-8-10-3-5-11(6-4-10)16-13(18)17-12-2-1-7-15-9-12/h3-6,12,15H,1-2,7,9H2,(H2,16,17,18)/t12-/m1/s1
InChIKeyWVWMEYRMYTXSSR-GFCCVEGCSA-N
XLogP1.43
TPSA76.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]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-Cyclohexyl-3-(P-tolyl)urea
CID 280350
3-(1-Benzylpiperidin-4-yl)-1-phenylurea
CID 4064342
Fluprazine
CID 71153
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)-2,5-dimethylpiperazine-1-carboxamide
CID 11178122
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-phenylurea
CID 24768227
1-(Biphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831055
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
N-(4-cyanophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 718360
N-(2,5-dimethylphenyl)-N'-[2-(4-propylpiperazin-1-yl)ethyl]urea
CID 22430388
N-(4-Methylphenyl)-N'-(4-phenylbutyl)urea
CID 24818670
N-Cyclooctyl-N'-(4-ethylphenyl)urea
CID 24818712
N-(2-methylphenyl)-N'-[3-(4-methylpiperazin-1-yl)propyl]urea
CID 2222200

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea (CID 113436695) is 1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea is N#Cc1ccc(NC(=O)N[C@@H]2CCCNC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea?
The InChIKey is WVWMEYRMYTXSSR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N4O/c14-8-10-3-5-11(6-4-10)16-13(18)17-12-2-1-7-15-9-12/h3-6,12,15H,1-2,7,9H2,(H2,16,17,18)/t12-/m1/s1.
What are the key properties of 1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea?
1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea has a molecular weight of 244.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea is sourced from PubChem (CID 113436695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).