1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide

C15H18N2O2 — CID 846355

IUPAC1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C15H18N2O2/c16-15(19)13-8-10-17(11-9-13)14(18)7-6-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H2,16,19)
InChIKeyIDDVFMPNPUYQQM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.42
Rot. Bonds3

About 1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide

1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide (PubChem CID 846355) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
PubChem CID846355
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C15H18N2O2/c16-15(19)13-8-10-17(11-9-13)14(18)7-6-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H2,16,19)
InChIKeyIDDVFMPNPUYQQM-UHFFFAOYSA-N
XLogP1.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 2176419
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
(E)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 26773682
(1-amino-1-oxopropan-2-yl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate
CID 46792726
1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide
CID 51163837
1-cyclohexyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]urea
CID 67489628
ethane;1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbaldehyde
CID 91411827
1-[(E)-5-phenylpent-4-enoyl]piperidine-4-carboxamide
CID 119137406
(E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 92926170
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide (CID 846355) is 1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The InChIKey is IDDVFMPNPUYQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-15(19)13-8-10-17(11-9-13)14(18)7-6-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H2,16,19).
What are the key properties of 1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide is sourced from PubChem (CID 846355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).