N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide

C16H21N3O — CID 115873454

IUPACN-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1C
InChIInChI=1S/C16H21N3O/c1-12-7-8-19(10-13(12)2)11-16(20)18-15-5-3-14(9-17)4-6-15/h3-6,12-13H,7-8,10-11H2,1-2H3,(H,18,20)
InChIKeyVGBKRWOASWDYQK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.47
Rot. Bonds3

About N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide

N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide (PubChem CID 115873454) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
PubChem CID115873454
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1C
InChIInChI=1S/C16H21N3O/c1-12-7-8-19(10-13(12)2)11-16(20)18-15-5-3-14(9-17)4-6-15/h3-6,12-13H,7-8,10-11H2,1-2H3,(H,18,20)
InChIKeyVGBKRWOASWDYQK-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 114961132
N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 112698282
N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533438
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740
3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 79874391
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-cyanophenyl)acetamide
CID 79927603
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide (CID 115873454) is N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1C.
What is the InChIKey of N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide?
The InChIKey is VGBKRWOASWDYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-7-8-19(10-13(12)2)11-16(20)18-15-5-3-14(9-17)4-6-15/h3-6,12-13H,7-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide?
N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.47, 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-(3,4-dimethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 115873454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).