1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide

C16H18N2O2 — CID 5260619

IUPAC1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide
SMILESC#Cc1cccc(NC(=O)C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C16H18N2O2/c1-3-13-5-4-6-15(11-13)17-16(20)14-7-9-18(10-8-14)12(2)19/h1,4-6,11,14H,7-10H2,2H3,(H,17,20)
InChIKeyHGNQPAHXUOYDHH-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.86
Rot. Bonds2

About 1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide

1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide (PubChem CID 5260619) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide
PubChem CID5260619
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide
SMILESC#Cc1cccc(NC(=O)C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C16H18N2O2/c1-3-13-5-4-6-15(11-13)17-16(20)14-7-9-18(10-8-14)12(2)19/h1,4-6,11,14H,7-10H2,2H3,(H,17,20)
InChIKeyHGNQPAHXUOYDHH-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide (CID 5260619) is 1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide is C#Cc1cccc(NC(=O)C2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide?
The InChIKey is HGNQPAHXUOYDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-13-5-4-6-15(11-13)17-16(20)14-7-9-18(10-8-14)12(2)19/h1,4-6,11,14H,7-10H2,2H3,(H,17,20).
What are the key properties of 1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide?
1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-ethynylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 5260619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).