2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide

C16H20N2O2 — CID 68830106

IUPAC2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide
SMILESC=CCc1ccc(C(=O)N2CCCCC2)c(C(N)=O)c1
InChIInChI=1S/C16H20N2O2/c1-2-6-12-7-8-13(14(11-12)15(17)19)16(20)18-9-4-3-5-10-18/h2,7-8,11H,1,3-6,9-10H2,(H2,17,19)
InChIKeyYSBCXLQITQCYFI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.14
Rot. Bonds4

About 2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide

2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide (PubChem CID 68830106) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide
PubChem CID68830106
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide
SMILESC=CCc1ccc(C(=O)N2CCCCC2)c(C(N)=O)c1
InChIInChI=1S/C16H20N2O2/c1-2-6-12-7-8-13(14(11-12)15(17)19)16(20)18-9-4-3-5-10-18/h2,7-8,11H,1,3-6,9-10H2,(H2,17,19)
InChIKeyYSBCXLQITQCYFI-UHFFFAOYSA-N
XLogP2.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(piperidine-1-carbonyl)-5-propan-2-ylbenzamide
CID 68832507
5-methoxy-2-(piperidine-1-carbonyl)benzamide
CID 68835817
2-(azetidine-1-carbonyl)-5-fluorobenzamide
CID 70098132
2-(piperidine-1-carbonyl)-5-propan-2-yloxybenzamide
CID 68835377
benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide
CID 66934139
(4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone
CID 67715458
(4-prop-2-enyl-1,3-benzodioxol-5-yl)-pyrrolidin-1-ylmethanone
CID 132965763
2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide
CID 82179408
5-(hydroxymethyl)-2-piperidin-1-ylbenzamide
CID 68506696
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444

Frequently Asked Questions

What is the IUPAC name of 2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide?
The IUPAC name of 2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide (CID 68830106) is 2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide.
What is the SMILES notation for 2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide?
The canonical SMILES for 2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide is C=CCc1ccc(C(=O)N2CCCCC2)c(C(N)=O)c1.
What is the InChIKey of 2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide?
The InChIKey is YSBCXLQITQCYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-6-12-7-8-13(14(11-12)15(17)19)16(20)18-9-4-3-5-10-18/h2,7-8,11H,1,3-6,9-10H2,(H2,17,19).
What are the key properties of 2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide?
2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide is sourced from PubChem (CID 68830106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).