N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide

C16H21N3O — CID 63127309

IUPACN-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)Nc2ccccc2C#N)CCNCC1
InChIInChI=1S/C16H21N3O/c1-2-7-16(8-10-18-11-9-16)15(20)19-14-6-4-3-5-13(14)12-17/h3-6,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyKXPGYAIWZLWVSY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.67
Rot. Bonds4

About N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide

N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide (PubChem CID 63127309) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide
PubChem CID63127309
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)Nc2ccccc2C#N)CCNCC1
InChIInChI=1S/C16H21N3O/c1-2-7-16(8-10-18-11-9-16)15(20)19-14-6-4-3-5-13(14)12-17/h3-6,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyKXPGYAIWZLWVSY-UHFFFAOYSA-N
XLogP2.67
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide
CID 63129014
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150
N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 63128180
N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide
CID 63130967
N-(4-bromophenyl)-4-propylpiperidine-4-carboxamide
CID 63127331
1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980627
N-(2-phenoxyethyl)-4-propylpiperidine-4-carboxamide
CID 63129005
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide
CID 63128122
1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108982236
1-N'-(2-cyanophenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982432
1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981680

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide (CID 63127309) is N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)Nc2ccccc2C#N)CCNCC1.
What is the InChIKey of N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide?
The InChIKey is KXPGYAIWZLWVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-7-16(8-10-18-11-9-16)15(20)19-14-6-4-3-5-13(14)12-17/h3-6,18H,2,7-11H2,1H3,(H,19,20).
What are the key properties of N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide?
N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 63127309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).