4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide

C17H21N3O — CID 79701617

IUPAC4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(CC2CCNCC2)C2CC2)cc1
InChIInChI=1S/C17H21N3O/c18-11-13-1-3-15(4-2-13)17(21)20(16-5-6-16)12-14-7-9-19-10-8-14/h1-4,14,16,19H,5-10,12H2
InChIKeySCNWUQGKPQNITQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.16
Rot. Bonds4

About 4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide

4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 79701617) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID79701617
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(CC2CCNCC2)C2CC2)cc1
InChIInChI=1S/C17H21N3O/c18-11-13-1-3-15(4-2-13)17(21)20(16-5-6-16)12-14-7-9-19-10-8-14/h1-4,14,16,19H,5-10,12H2
InChIKeySCNWUQGKPQNITQ-UHFFFAOYSA-N
XLogP2.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79702133
4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779382
N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 61053717
N-cyclopropyl-5-hydroxy-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
CID 79720724
3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 115999697
N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129003838
N-cyclopropyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 79701478
N-cyclopropyl-5-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79721164
N-(4-cyanophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607310
3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 107520178
4-[[(4-cyanobenzoyl)-methylamino]methyl]piperidine-1-carboxylic acid
CID 141379176
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide (CID 79701617) is 4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide is N#Cc1ccc(C(=O)N(CC2CCNCC2)C2CC2)cc1.
What is the InChIKey of 4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is SCNWUQGKPQNITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-11-13-1-3-15(4-2-13)17(21)20(16-5-6-16)12-14-7-9-19-10-8-14/h1-4,14,16,19H,5-10,12H2.
What are the key properties of 4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide?
4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 283.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 79701617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).