N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide

C15H19N3O — CID 110864817

IUPACN-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide
SMILESCN1CCCCC1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H19N3O/c1-18-8-3-2-7-14(18)10-15(19)17-13-6-4-5-12(9-13)11-16/h4-6,9,14H,2-3,7-8,10H2,1H3,(H,17,19)
InChIKeyNGHVJCZCWIKSRN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.37
Rot. Bonds3

About N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide

N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide (PubChem CID 110864817) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide
PubChem CID110864817
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide
SMILESCN1CCCCC1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H19N3O/c1-18-8-3-2-7-14(18)10-15(19)17-13-6-4-5-12(9-13)11-16/h4-6,9,14H,2-3,7-8,10H2,1H3,(H,17,19)
InChIKeyNGHVJCZCWIKSRN-UHFFFAOYSA-N
XLogP2.37
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110861048
N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
CID 79309474
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 43187511
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264308
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862093
N'-(3-cyanophenyl)-N-cyclopentylpropanediamide
CID 108942303

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide (CID 110864817) is N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide is CN1CCCCC1CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide?
The InChIKey is NGHVJCZCWIKSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-8-3-2-7-14(18)10-15(19)17-13-6-4-5-12(9-13)11-16/h4-6,9,14H,2-3,7-8,10H2,1H3,(H,17,19).
What are the key properties of N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide?
N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide is sourced from PubChem (CID 110864817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).