N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide

C15H17N3O2 — CID 17463259

IUPACN-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H17N3O2/c1-11(19)18-8-6-14(7-9-18)17-15(20)13-4-2-12(10-16)3-5-13/h2-5,14H,6-9H2,1H3,(H,17,20)
InChIKeyBMIDTMBUXAUJIY-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.30
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide

N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide (PubChem CID 17463259) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
PubChem CID17463259
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H17N3O2/c1-11(19)18-8-6-14(7-9-18)17-15(20)13-4-2-12(10-16)3-5-13/h2-5,14H,6-9H2,1H3,(H,17,20)
InChIKeyBMIDTMBUXAUJIY-UHFFFAOYSA-N
XLogP1.30
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 138617831
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040
N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
CID 110871344
4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
CID 64724364
N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 51221242
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-cyanobenzamide
CID 31679594
4-[(1-acetylpiperidin-4-yl)methyl]-N-cyclopropylbenzamide
CID 110198053
4-cyano-N-(3-methylcyclohexyl)benzamide
CID 43244094

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide (CID 17463259) is N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide is CC(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide?
The InChIKey is BMIDTMBUXAUJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(19)18-8-6-14(7-9-18)17-15(20)13-4-2-12(10-16)3-5-13/h2-5,14H,6-9H2,1H3,(H,17,20).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide?
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide has a molecular weight of 271.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide is sourced from PubChem (CID 17463259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).