1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea

C15H20N4O — CID 51106201

IUPAC1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C15H20N4O/c1-19-7-5-12(6-8-19)11-17-15(20)18-14-4-2-3-13(9-14)10-16/h2-4,9,12H,5-8,11H2,1H3,(H2,17,18,20)
InChIKeyNNWMWEFDTKJGML-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.02
Rot. Bonds3

About 1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea

1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea (PubChem CID 51106201) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
PubChem CID51106201
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C15H20N4O/c1-19-7-5-12(6-8-19)11-17-15(20)18-14-4-2-3-13(9-14)10-16/h2-4,9,12H,5-8,11H2,1H3,(H2,17,18,20)
InChIKeyNNWMWEFDTKJGML-UHFFFAOYSA-N
XLogP2.02
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
1-(3-cyanophenyl)-3-[[1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]urea
CID 3269604
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886569
1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 55168466
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-(3-cyanophenyl)urea
CID 56822229
1-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-(3-cyanophenyl)urea
CID 95593465
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
CID 62062180
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
1-(3-cyanophenyl)-3-[[(2R,4S,5S)-5-[[methyl(prop-2-enyl)amino]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 40780236
1-(2-chloroethyl)-3-(3-cyanophenyl)urea
CID 11736224

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea (CID 51106201) is 1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea is CN1CCC(CNC(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of 1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
The InChIKey is NNWMWEFDTKJGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-7-5-12(6-8-19)11-17-15(20)18-14-4-2-3-13(9-14)10-16/h2-4,9,12H,5-8,11H2,1H3,(H2,17,18,20).
What are the key properties of 1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea has a molecular weight of 272.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 51106201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).