N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide

C15H19N3O — CID 62676322

IUPACN-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide
SMILESN#Cc1cccc(CNC(=O)CC2CCCNC2)c1
InChIInChI=1S/C15H19N3O/c16-9-12-3-1-4-13(7-12)11-18-15(19)8-14-5-2-6-17-10-14/h1,3-4,7,14,17H,2,5-6,8,10-11H2,(H,18,19)
InChIKeyIWUCTINHVLAJMB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.56
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide

N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide (PubChem CID 62676322) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide
PubChem CID62676322
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide
SMILESN#Cc1cccc(CNC(=O)CC2CCCNC2)c1
InChIInChI=1S/C15H19N3O/c16-9-12-3-1-4-13(7-12)11-18-15(19)8-14-5-2-6-17-10-14/h1,3-4,7,14,17H,2,5-6,8,10-11H2,(H,18,19)
InChIKeyIWUCTINHVLAJMB-UHFFFAOYSA-N
XLogP1.56
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
N-[(3-methoxyphenyl)methyl]-2-piperidin-3-ylacetamide
CID 62691062
N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
CID 60769167
N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide
CID 104954757
N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 58032857
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384935
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62690046
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
CID 47216904

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide (CID 62676322) is N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide is N#Cc1cccc(CNC(=O)CC2CCCNC2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide?
The InChIKey is IWUCTINHVLAJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-12-3-1-4-13(7-12)11-18-15(19)8-14-5-2-6-17-10-14/h1,3-4,7,14,17H,2,5-6,8,10-11H2,(H,18,19).
What are the key properties of N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide?
N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide has a molecular weight of 257.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide is sourced from PubChem (CID 62676322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).