N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide

C15H19N3O — CID 22689014

IUPACN-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
SMILESN#CCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H19N3O/c16-9-6-15(19)17-14-7-10-18(11-8-14)12-13-4-2-1-3-5-13/h1-5,14H,6-8,10-12H2,(H,17,19)
InChIKeyRGNVMBSZRFYWRM-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.68
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide

N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide (PubChem CID 22689014) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
PubChem CID22689014
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
SMILESN#CCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H19N3O/c16-9-6-15(19)17-14-7-10-18(11-8-14)12-13-4-2-1-3-5-13/h1-5,14H,6-8,10-12H2,(H,17,19)
InChIKeyRGNVMBSZRFYWRM-UHFFFAOYSA-N
XLogP1.68
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide
CID 165351593
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
(2E)-N-(1-benzylpiperidin-4-yl)-2-cyano-2-hydroxyiminoacetamide;hydrochloride
CID 73335526
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide (CID 22689014) is N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide is N#CCC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide?
The InChIKey is RGNVMBSZRFYWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-6-15(19)17-14-7-10-18(11-8-14)12-13-4-2-1-3-5-13/h1-5,14H,6-8,10-12H2,(H,17,19).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide?
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide has a molecular weight of 257.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide is sourced from PubChem (CID 22689014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).