4-cyano-N-(1-ethylpiperidin-4-yl)benzamide

C15H19N3O — CID 9091097

IUPAC4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
SMILESCCN1CCC(NC(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H19N3O/c1-2-18-9-7-14(8-10-18)17-15(19)13-5-3-12(11-16)4-6-13/h3-6,14H,2,7-10H2,1H3,(H,17,19)
InChIKeyYDFLXYNWECSFNZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.77
Rot. Bonds3

About 4-cyano-N-(1-ethylpiperidin-4-yl)benzamide

4-cyano-N-(1-ethylpiperidin-4-yl)benzamide (PubChem CID 9091097) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-cyano-N-(1-ethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
PubChem CID9091097
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
SMILESCCN1CCC(NC(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H19N3O/c1-2-18-9-7-14(8-10-18)17-15(19)13-5-3-12(11-16)4-6-13/h3-6,14H,2,7-10H2,1H3,(H,17,19)
InChIKeyYDFLXYNWECSFNZ-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide
CID 91557518
4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide
CID 17449412
4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 138617831
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107
4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 53185237

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-ethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-cyano-N-(1-ethylpiperidin-4-yl)benzamide (CID 9091097) is 4-cyano-N-(1-ethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(1-ethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-cyano-N-(1-ethylpiperidin-4-yl)benzamide is CCN1CCC(NC(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-cyano-N-(1-ethylpiperidin-4-yl)benzamide?
The InChIKey is YDFLXYNWECSFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-18-9-7-14(8-10-18)17-15(19)13-5-3-12(11-16)4-6-13/h3-6,14H,2,7-10H2,1H3,(H,17,19).
What are the key properties of 4-cyano-N-(1-ethylpiperidin-4-yl)benzamide?
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide has a molecular weight of 257.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1-ethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 9091097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).