1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide

C15H19N3O — CID 64535939

IUPAC1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide
SMILESN#CC(CN1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C15H19N3O/c16-10-14(12-4-2-1-3-5-12)11-18-8-6-13(7-9-18)15(17)19/h1-5,13-14H,6-9,11H2,(H2,17,19)
InChIKeyPGKMVFRSIZNHPA-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.49
Rot. Bonds4

About 1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide

1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide (PubChem CID 64535939) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide
PubChem CID64535939
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide
SMILESN#CC(CN1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C15H19N3O/c16-10-14(12-4-2-1-3-5-12)11-18-8-6-13(7-9-18)15(17)19/h1-5,13-14H,6-9,11H2,(H2,17,19)
InChIKeyPGKMVFRSIZNHPA-UHFFFAOYSA-N
XLogP1.49
TPSA70.12 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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile
CID 115302064
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile
CID 82696688
ethyl (3S)-1-(2-cyano-2-phenylethyl)piperidine-3-carboxylate
CID 115536524
3-[4-(3-aminopropoxy)piperidin-1-yl]-2-phenylpropanenitrile
CID 79737027
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
3-(5-oxo-1,4-diazepan-1-yl)-2-phenylpropanenitrile
CID 64535956
1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide
CID 124733844
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate
CID 155146392
ethyl 1-(2-cyano-2-phenylethyl)pyrrolidine-2-carboxylate
CID 64536050
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide (CID 64535939) is 1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide is N#CC(CN1CCC(C(N)=O)CC1)c1ccccc1.
What is the InChIKey of 1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is PGKMVFRSIZNHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-10-14(12-4-2-1-3-5-12)11-18-8-6-13(7-9-18)15(17)19/h1-5,13-14H,6-9,11H2,(H2,17,19).
What are the key properties of 1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide?
1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 64535939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).