3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C15H19N3O — CID 24706025

IUPAC3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C15H19N3O/c1-17-8-6-14(7-9-17)18(2)15(19)13-5-3-4-12(10-13)11-16/h3-5,10,14H,6-9H2,1-2H3
InChIKeyLCWNNQZFHXLBIE-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.72
Rot. Bonds2

About 3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 24706025) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID24706025
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C15H19N3O/c1-17-8-6-14(7-9-17)18(2)15(19)13-5-3-4-12(10-13)11-16/h3-5,10,14H,6-9H2,1-2H3
InChIKeyLCWNNQZFHXLBIE-UHFFFAOYSA-N
XLogP1.72
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
CID 79121217
3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
CID 47091375
N-methyl-N-(1-methylpiperidin-4-yl)-3-propan-2-yloxybenzamide
CID 170788099
3-[(E)-1-(dimethylamino)-3-(1-methylpiperidin-4-yl)-3-oxoprop-1-en-2-yl]benzonitrile
CID 90058455
3-cyano-N-cyclopentyl-N-cyclopropylbenzamide
CID 110872922
3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 103955316
N-methyl-N-(1-methylpiperidin-4-yl)-3-pyridin-2-yloxybenzamide
CID 90596724
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 39902838
N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide
CID 110468852
3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112834244
2-[(3-cyanobenzoyl)-cyclopropylamino]acetic acid
CID 54946205
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 24706025) is 3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2cccc(C#N)c2)CC1.
What is the InChIKey of 3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is LCWNNQZFHXLBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17-8-6-14(7-9-17)18(2)15(19)13-5-3-4-12(10-13)11-16/h3-5,10,14H,6-9H2,1-2H3.
What are the key properties of 3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 257.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 24706025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).