1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C16H17N3O2 — CID 2381783

IUPAC1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESN#C/C(=C\c1ccccc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H17N3O2/c17-11-14(10-12-4-2-1-3-5-12)16(21)19-8-6-13(7-9-19)15(18)20/h1-5,10,13H,6-9H2,(H2,18,20)/b14-10+
InChIKeyCOVKQCAITZCKHK-GXDHUFHOSA-N
MW283.33 g/mol
LogP1.32
Rot. Bonds3

About 1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide

1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 2381783) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID2381783
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESN#C/C(=C\c1ccccc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H17N3O2/c17-11-14(10-12-4-2-1-3-5-12)16(21)19-8-6-13(7-9-19)15(18)20/h1-5,10,13H,6-9H2,(H2,18,20)/b14-10+
InChIKeyCOVKQCAITZCKHK-GXDHUFHOSA-N
XLogP1.32
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Piperidine, 1-(1-oxo-3-phenyl-2-propenyl)-
CID 223147
(E)-3-Phenyl-1-Piperidin-1-Ylprop-2-En-1-One
CID 764160
(E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
CID 163183792
(2Z)-2-methyl-1-(4-methylpiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 19589550
1-(3-Methylbutyl)-2-oxo-4-(2-phenylethyl)pyridine-3-carbonitrile
CID 59391336
(2E,4E)-5-phenyl-2-(pyrrolidin-1-ylcarbonyl)penta-2,4-dienenitrile
CID 1502289
1-(1-Oxo-5-phenyl-2,4-pentadienyl)piperidine
CID 5712570
4-Amino-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-butan-1-one
CID 10779812
N-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide
CID 44522952
1-{4-Oxo-4-[(4-phenylbutan-2-yl)amino]butanoyl}piperidine-4-carboxamide
CID 23724272
N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide
CID 11483913
N-hydroxy-4-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]butanamide
CID 16720547

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 2381783) is 1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide is N#C/C(=C\c1ccccc1)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is COVKQCAITZCKHK-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-11-14(10-12-4-2-1-3-5-12)16(21)19-8-6-13(7-9-19)15(18)20/h1-5,10,13H,6-9H2,(H2,18,20)/b14-10+.
What are the key properties of 1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 2381783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).