4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide

C15H18N2O2 — CID 77047625

IUPAC4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide
SMILESNC(=O)c1ccc(C=CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H18N2O2/c16-15(19)13-7-4-12(5-8-13)6-9-14(18)17-10-2-1-3-11-17/h4-9H,1-3,10-11H2,(H2,16,19)
InChIKeyZMHNPZGYOQTCGA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.81
Rot. Bonds3

About 4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide

4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide (PubChem CID 77047625) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide.

Molecular Properties

Compound Name4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide
PubChem CID77047625
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide
SMILESNC(=O)c1ccc(C=CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H18N2O2/c16-15(19)13-7-4-12(5-8-13)6-9-14(18)17-10-2-1-3-11-17/h4-9H,1-3,10-11H2,(H2,16,19)
InChIKeyZMHNPZGYOQTCGA-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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

(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
4-[(E)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 60957895
4-[(E)-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 43589542
4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 75535665
4-[3-[3-(1-aminoethyl)piperidin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 126779933
(Z)-3-[4-(dimethylamino)phenyl]-1-pyrrolidin-1-ylprop-2-en-1-one
CID 97305646
N-[4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]acetamide
CID 36866079
4-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 76941839
5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 86001004
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630
3-(4-bromophenyl)-1-[4-[3-(4-bromophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one
CID 5058589
N-[4-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenyl]acetamide
CID 39878522

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide?
The IUPAC name of 4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide (CID 77047625) is 4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide.
What is the SMILES notation for 4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide?
The canonical SMILES for 4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide is NC(=O)c1ccc(C=CC(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide?
The InChIKey is ZMHNPZGYOQTCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-15(19)13-7-4-12(5-8-13)6-9-14(18)17-10-2-1-3-11-17/h4-9H,1-3,10-11H2,(H2,16,19).
What are the key properties of 4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide?
4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide is sourced from PubChem (CID 77047625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).