N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide

C15H19N3O — CID 62674886

IUPACN-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide
SMILESN#CCc1ccc(NC(=O)CC2CCCNC2)cc1
InChIInChI=1S/C15H19N3O/c16-8-7-12-3-5-14(6-4-12)18-15(19)10-13-2-1-9-17-11-13/h3-6,13,17H,1-2,7,9-11H2,(H,18,19)
InChIKeyIBLXLVXRJPPGRT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.08
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide

N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide (PubChem CID 62674886) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide
PubChem CID62674886
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide
SMILESN#CCc1ccc(NC(=O)CC2CCCNC2)cc1
InChIInChI=1S/C15H19N3O/c16-8-7-12-3-5-14(6-4-12)18-15(19)10-13-2-1-9-17-11-13/h3-6,13,17H,1-2,7,9-11H2,(H,18,19)
InChIKeyIBLXLVXRJPPGRT-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115340003
N-(4-tert-butylphenyl)-2-piperidin-3-ylacetamide
CID 62690880
2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 66290955
N,N-dimethyl-4-[(2-piperidin-3-ylacetyl)amino]benzamide
CID 62676306
2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897
3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide
CID 82260307
2-methoxy-N-[4-(piperidin-3-ylmethyl)phenyl]acetamide
CID 82260310
N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755602
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide
CID 107790601
2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64610182

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide (CID 62674886) is N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide is N#CCc1ccc(NC(=O)CC2CCCNC2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide?
The InChIKey is IBLXLVXRJPPGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-8-7-12-3-5-14(6-4-12)18-15(19)10-13-2-1-9-17-11-13/h3-6,13,17H,1-2,7,9-11H2,(H,18,19).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide?
N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide has a molecular weight of 257.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide is sourced from PubChem (CID 62674886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).