N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide

C15H19N3O — CID 104596774

IUPACN-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide
SMILESCN(C(=O)C1(C)CCCCN1)c1cccc(C#N)c1
InChIInChI=1S/C15H19N3O/c1-15(8-3-4-9-17-15)14(19)18(2)13-7-5-6-12(10-13)11-16/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyBVPSURHXENRUGY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.05
Rot. Bonds2

About N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide

N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide (PubChem CID 104596774) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide
PubChem CID104596774
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide
SMILESCN(C(=O)C1(C)CCCCN1)c1cccc(C#N)c1
InChIInChI=1S/C15H19N3O/c1-15(8-3-4-9-17-15)14(19)18(2)13-7-5-6-12(10-13)11-16/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyBVPSURHXENRUGY-UHFFFAOYSA-N
XLogP2.05
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[methyl(methylsulfanyl)amino]benzonitrile
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N-(3-cyanophenyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
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6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
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4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide (CID 104596774) is N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide is CN(C(=O)C1(C)CCCCN1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide?
The InChIKey is BVPSURHXENRUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(8-3-4-9-17-15)14(19)18(2)13-7-5-6-12(10-13)11-16/h5-7,10,17H,3-4,8-9H2,1-2H3.
What are the key properties of N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide?
N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 104596774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).