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

C15H19N3O — CID 55117539

IUPAC1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide
SMILESN#CCC(c1ccccc1)N1CCCCC1C(N)=O
InChIInChI=1S/C15H19N3O/c16-10-9-13(12-6-2-1-3-7-12)18-11-5-4-8-14(18)15(17)19/h1-3,6-7,13-14H,4-5,8-9,11H2,(H2,17,19)
InChIKeyMZABWOPWVYZDAS-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.98
Rot. Bonds4

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

1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide (PubChem CID 55117539) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide
PubChem CID55117539
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide
SMILESN#CCC(c1ccccc1)N1CCCCC1C(N)=O
InChIInChI=1S/C15H19N3O/c16-10-9-13(12-6-2-1-3-7-12)18-11-5-4-8-14(18)15(17)19/h1-3,6-7,13-14H,4-5,8-9,11H2,(H2,17,19)
InChIKeyMZABWOPWVYZDAS-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(hydroxymethyl)azepan-1-yl]-3-phenylpropanenitrile
CID 116634770
3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile
CID 63256046
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide
CID 62037047
1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide
CID 55017137
methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate
CID 104775045
methyl 1-(2-cyano-1-phenylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971462
1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
CID 55017302
3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile
CID 62779738
1-(3-amino-2-phenyl-3-sulfanylidenepropanoyl)piperidine-2-carboxamide
CID 62877915
(2R)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-2-carboxamide
CID 41075375
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanenitrile
CID 102883437

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide?
The IUPAC name of 1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide (CID 55117539) is 1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide is N#CCC(c1ccccc1)N1CCCCC1C(N)=O.
What is the InChIKey of 1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide?
The InChIKey is MZABWOPWVYZDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-10-9-13(12-6-2-1-3-7-12)18-11-5-4-8-14(18)15(17)19/h1-3,6-7,13-14H,4-5,8-9,11H2,(H2,17,19).
What are the key properties of 1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide?
1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 55117539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).