(E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide

C15H17N3O — CID 7480458

IUPAC(E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCCCC2)cc1)C(N)=O
InChIInChI=1S/C15H17N3O/c16-11-13(15(17)19)10-12-4-6-14(7-5-12)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H2,17,19)/b13-10+
InChIKeyOQTPNEGZCYQZRZ-JLHYYAGUSA-N
MW255.32 g/mol
LogP2.07
Rot. Bonds3

About (E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide

(E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 7480458) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID7480458
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCCCC2)cc1)C(N)=O
InChIInChI=1S/C15H17N3O/c16-11-13(15(17)19)10-12-4-6-14(7-5-12)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H2,17,19)/b13-10+
InChIKeyOQTPNEGZCYQZRZ-JLHYYAGUSA-N
XLogP2.07
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide (CID 7480458) is (E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide is N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is OQTPNEGZCYQZRZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H17N3O/c16-11-13(15(17)19)10-12-4-6-14(7-5-12)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H2,17,19)/b13-10+.
What are the key properties of (E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide?
(E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 7480458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).