1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide

C16H21N3O2 — CID 154726171

IUPAC1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide
SMILESNC(=O)/C=C/CN1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H21N3O2/c17-15(20)7-4-10-19-11-8-13(9-12-19)16(21)18-14-5-2-1-3-6-14/h1-7,13H,8-12H2,(H2,17,20)(H,18,21)/b7-4+
InChIKeyFOJITKYOWODKDV-QPJJXVBHSA-N
MW287.36 g/mol
LogP1.38
Rot. Bonds5

About 1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide

1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 154726171) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide
PubChem CID154726171
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide
SMILESNC(=O)/C=C/CN1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H21N3O2/c17-15(20)7-4-10-19-11-8-13(9-12-19)16(21)18-14-5-2-1-3-6-14/h1-7,13H,8-12H2,(H2,17,20)(H,18,21)/b7-4+
InChIKeyFOJITKYOWODKDV-QPJJXVBHSA-N
XLogP1.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide
CID 166626879
1-[(2R)-1-amino-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134531
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide
CID 56793227
1-[2-(cyclohexylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134327
1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134646
N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18089156
1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 9134208
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide (CID 154726171) is 1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide is NC(=O)/C=C/CN1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is FOJITKYOWODKDV-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-15(20)7-4-10-19-11-8-13(9-12-19)16(21)18-14-5-2-1-3-6-14/h1-7,13H,8-12H2,(H2,17,20)(H,18,21)/b7-4+.
What are the key properties of 1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide?
1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 154726171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).