1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea

C15H20N4O — CID 61124171

IUPAC1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC2(C#N)CCN(C)CC2)c1
InChIInChI=1S/C15H20N4O/c1-12-4-3-5-13(10-12)17-14(20)18-15(11-16)6-8-19(2)9-7-15/h3-5,10H,6-9H2,1-2H3,(H2,17,18,20)
InChIKeyQMIAOLKJRPCUER-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.10
Rot. Bonds2

About 1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea

1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea (PubChem CID 61124171) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea
PubChem CID61124171
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC2(C#N)CCN(C)CC2)c1
InChIInChI=1S/C15H20N4O/c1-12-4-3-5-13(10-12)17-14(20)18-15(11-16)6-8-19(2)9-7-15/h3-5,10H,6-9H2,1-2H3,(H2,17,18,20)
InChIKeyQMIAOLKJRPCUER-UHFFFAOYSA-N
XLogP2.10
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319
4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 43341722
1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
CID 61122216
1-(1-cyano-4-methylcyclohexyl)-3-(3-methoxyphenyl)urea
CID 61310955
2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
CID 62505287
N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide
CID 23500829
4-(3-chloroanilino)-1-methylpiperidine-4-carbonitrile
CID 54887111
N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide
CID 54904713
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide
CID 60967999
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
CID 61124140
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea (CID 61124171) is 1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NC2(C#N)CCN(C)CC2)c1.
What is the InChIKey of 1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea?
The InChIKey is QMIAOLKJRPCUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-4-3-5-13(10-12)17-14(20)18-15(11-16)6-8-19(2)9-7-15/h3-5,10H,6-9H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea?
1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea has a molecular weight of 272.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 61124171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).