N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide

C15H18ClN3O — CID 103993100

IUPACN-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1Cl
InChIInChI=1S/C15H18ClN3O/c1-11-3-4-12(9-13(11)16)18-14(20)19-7-5-15(2,10-17)6-8-19/h3-4,9H,5-8H2,1-2H3,(H,18,20)
InChIKeyVVIDMJQPNQTWPF-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.81
Rot. Bonds1

About N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide

N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide (PubChem CID 103993100) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
PubChem CID103993100
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1Cl
InChIInChI=1S/C15H18ClN3O/c1-11-3-4-12(9-13(11)16)18-14(20)19-7-5-15(2,10-17)6-8-19/h3-4,9H,5-8H2,1-2H3,(H,18,20)
InChIKeyVVIDMJQPNQTWPF-UHFFFAOYSA-N
XLogP3.81
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 103993105
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 119072401
N-(3-chloro-4-methylphenyl)-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 55768358
N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70755232
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 81108634
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
1-[(4-chloro-3-fluorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124130
N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide
CID 114779044
1-(3-chloro-4-methylphenyl)-3-cyanourea
CID 115571570

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide (CID 103993100) is N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide?
The InChIKey is VVIDMJQPNQTWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-3-4-12(9-13(11)16)18-14(20)19-7-5-15(2,10-17)6-8-19/h3-4,9H,5-8H2,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide?
N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 103993100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).