N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide

C16H21N3O — CID 110864681

IUPACN-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(CCC(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C16H21N3O/c1-19-10-8-13(9-11-19)6-7-16(20)18-15-5-3-2-4-14(15)12-17/h2-5,13H,6-11H2,1H3,(H,18,20)
InChIKeyOWJRUPWSPPAXKW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.62
Rot. Bonds4

About N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide

N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide (PubChem CID 110864681) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
PubChem CID110864681
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(CCC(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C16H21N3O/c1-19-10-8-13(9-11-19)6-7-16(20)18-15-5-3-2-4-14(15)12-17/h2-5,13H,6-11H2,1H3,(H,18,20)
InChIKeyOWJRUPWSPPAXKW-UHFFFAOYSA-N
XLogP2.62
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
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CID 64598916
N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43176776
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
N-(2-cyanophenyl)-3-hydroxypropanamide
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CID 106669459
N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55482155
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide
CID 108922941
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
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N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60803095
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CID 63864973

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide (CID 110864681) is N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide is CN1CCC(CCC(=O)Nc2ccccc2C#N)CC1.
What is the InChIKey of N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is OWJRUPWSPPAXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-10-8-13(9-11-19)6-7-16(20)18-15-5-3-2-4-14(15)12-17/h2-5,13H,6-11H2,1H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide?
N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 110864681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).