N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide

C16H21N3O2 — CID 60968260

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2(C#N)CCN(C)CC2)cc1
InChIInChI=1S/C16H21N3O2/c1-19-9-7-16(12-17,8-10-19)18-15(20)11-13-3-5-14(21-2)6-4-13/h3-6H,7-11H2,1-2H3,(H,18,20)
InChIKeyYQJDMDFRKSYKMG-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.34
Rot. Bonds4

About N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide

N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 60968260) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID60968260
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2(C#N)CCN(C)CC2)cc1
InChIInChI=1S/C16H21N3O2/c1-19-9-7-16(12-17,8-10-19)18-15(20)11-13-3-5-14(21-2)6-4-13/h3-6H,7-11H2,1-2H3,(H,18,20)
InChIKeyYQJDMDFRKSYKMG-UHFFFAOYSA-N
XLogP1.34
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
CID 62505287
N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide
CID 23500829
N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide
CID 61122372
N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide
CID 60967121
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide
CID 113337518
N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide
CID 95158339
N-(4-cyano-1-methylpiperidin-4-yl)hexanamide
CID 54904452
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide
CID 112728083
(3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide
CID 95628883
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide (CID 60968260) is N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC2(C#N)CCN(C)CC2)cc1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is YQJDMDFRKSYKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19-9-7-16(12-17,8-10-19)18-15(20)11-13-3-5-14(21-2)6-4-13/h3-6H,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide?
N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 60968260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).