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

C16H21N3O — CID 43176778

IUPACN-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1C(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O/c1-12-5-3-4-10-19(12)13(2)16(20)18-15-8-6-14(11-17)7-9-15/h6-9,12-13H,3-5,10H2,1-2H3,(H,18,20)
InChIKeyNCJGXGKJGQGHIM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.76
Rot. Bonds3

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

N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide (PubChem CID 43176778) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide
PubChem CID43176778
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1C(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O/c1-12-5-3-4-10-19(12)13(2)16(20)18-15-8-6-14(11-17)7-9-15/h6-9,12-13H,3-5,10H2,1-2H3,(H,18,20)
InChIKeyNCJGXGKJGQGHIM-UHFFFAOYSA-N
XLogP2.76
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43824034
N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 103898485
(2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 11924002
N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 60976032
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779003
N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108519434
(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide (CID 43176778) is N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide is CC1CCCCN1C(C)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide?
The InChIKey is NCJGXGKJGQGHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-5-3-4-10-19(12)13(2)16(20)18-15-8-6-14(11-17)7-9-15/h6-9,12-13H,3-5,10H2,1-2H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide?
N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 43176778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).