N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide

C15H19N3O2 — CID 60967121

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C15H19N3O2/c1-18-9-7-15(11-16,8-10-18)17-14(19)12-5-3-4-6-13(12)20-2/h3-6H,7-10H2,1-2H3,(H,17,19)
InChIKeyCDFJBSQZKATKCX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.41
Rot. Bonds3

About N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide

N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide (PubChem CID 60967121) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide
PubChem CID60967121
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C15H19N3O2/c1-18-9-7-15(11-16,8-10-18)17-14(19)12-5-3-4-6-13(12)20-2/h3-6H,7-10H2,1-2H3,(H,17,19)
InChIKeyCDFJBSQZKATKCX-UHFFFAOYSA-N
XLogP1.41
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide
CID 54904713
2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide
CID 60967999
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
CID 106500981
N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide
CID 60704649
N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 60968260
N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide
CID 115674649
N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide
CID 60704762
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827716
N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 4782860
N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide
CID 113344829
(3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide
CID 95628883
2-methoxybenzohydrazide
CID 24051

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide (CID 60967121) is N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide is COc1ccccc1C(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide?
The InChIKey is CDFJBSQZKATKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-9-7-15(11-16,8-10-18)17-14(19)12-5-3-4-6-13(12)20-2/h3-6H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide?
N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide has a molecular weight of 273.34 g/mol, XLogP of 1.41, 3 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-methoxybenzamide is sourced from PubChem (CID 60967121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).