N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide

C15H19N3O — CID 9032808

IUPACN-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
SMILESN#CCc1ccc(NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C15H19N3O/c16-9-8-13-4-6-14(7-5-13)17-15(19)12-18-10-2-1-3-11-18/h4-7H,1-3,8,10-12H2,(H,17,19)
InChIKeyXGNUNWSRZWTVHZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.18
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide

N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide (PubChem CID 9032808) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
PubChem CID9032808
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
SMILESN#CCc1ccc(NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C15H19N3O/c16-9-8-13-4-6-14(7-5-13)17-15(19)12-18-10-2-1-3-11-18/h4-7H,1-3,8,10-12H2,(H,17,19)
InChIKeyXGNUNWSRZWTVHZ-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410718
N-[4-(cyanomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 62020265
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-[4-(cyanomethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988170
N-[4-(cyanomethyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 9031849
N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 9034213
N-[4-(cyanomethyl)phenyl]-2-(3-methylpiperazin-1-yl)acetamide
CID 65449601
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-(4-aminophenyl)-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]acetamide;dihydrochloride
CID 119871130
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide (CID 9032808) is N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide is N#CCc1ccc(NC(=O)CN2CCCCC2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is XGNUNWSRZWTVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-8-13-4-6-14(7-5-13)17-15(19)12-18-10-2-1-3-11-18/h4-7H,1-3,8,10-12H2,(H,17,19).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide?
N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 257.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 9032808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).