1-(4-cyanophenyl)-3-piperidin-4-ylurea

C13H16N4O — CID 43345800

IUPAC1-(4-cyanophenyl)-3-piperidin-4-ylurea
SMILESN#Cc1ccc(NC(=O)NC2CCNCC2)cc1
InChIInChI=1S/C13H16N4O/c14-9-10-1-3-11(4-2-10)16-13(18)17-12-5-7-15-8-6-12/h1-4,12,15H,5-8H2,(H2,16,17,18)
InChIKeyWHRWDSXWDSGVHY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.43
Rot. Bonds2

About 1-(4-cyanophenyl)-3-piperidin-4-ylurea

1-(4-cyanophenyl)-3-piperidin-4-ylurea (PubChem CID 43345800) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-piperidin-4-ylurea
PubChem CID43345800
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(4-cyanophenyl)-3-piperidin-4-ylurea
SMILESN#Cc1ccc(NC(=O)NC2CCNCC2)cc1
InChIInChI=1S/C13H16N4O/c14-9-10-1-3-11(4-2-10)16-13(18)17-12-5-7-15-8-6-12/h1-4,12,15H,5-8H2,(H2,16,17,18)
InChIKeyWHRWDSXWDSGVHY-UHFFFAOYSA-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

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Related Compounds

1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436695
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
1-(4-cyanophenyl)-3-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1466932
1-(4-cyanophenyl)-3-[(1S,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1466933
1-(azepan-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107172652
1-(4-nitrophenyl)-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685398
1-(4-cyanophenyl)-3-(oxolan-2-yl)urea
CID 110706796
1-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-(4-cyanophenyl)urea
CID 97311576
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(4-cyanophenyl)-3-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]urea
CID 95975783
tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea
CID 174569625
1-[4-(3-cyanoanilino)phenyl]-3-cyclohexylurea
CID 112989973

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-piperidin-4-ylurea?
The IUPAC name of 1-(4-cyanophenyl)-3-piperidin-4-ylurea (CID 43345800) is 1-(4-cyanophenyl)-3-piperidin-4-ylurea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-piperidin-4-ylurea?
The canonical SMILES for 1-(4-cyanophenyl)-3-piperidin-4-ylurea is N#Cc1ccc(NC(=O)NC2CCNCC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-piperidin-4-ylurea?
The InChIKey is WHRWDSXWDSGVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-9-10-1-3-11(4-2-10)16-13(18)17-12-5-7-15-8-6-12/h1-4,12,15H,5-8H2,(H2,16,17,18).
What are the key properties of 1-(4-cyanophenyl)-3-piperidin-4-ylurea?
1-(4-cyanophenyl)-3-piperidin-4-ylurea 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-piperidin-4-ylurea is sourced from PubChem (CID 43345800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).