2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide

C17H20N2O2 — CID 51322931

IUPAC2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H20N2O2/c1-2-10-18-16(20)13-19-11-8-15(9-12-19)17(21)14-6-4-3-5-7-14/h1,3-7,15H,8-13H2,(H,18,20)
InChIKeySTQOMIROAOJIHT-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.33
Rot. Bonds5

About 2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide

2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide (PubChem CID 51322931) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide
PubChem CID51322931
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H20N2O2/c1-2-10-18-16(20)13-19-11-8-15(9-12-19)17(21)14-6-4-3-5-7-14/h1,3-7,15H,8-13H2,(H,18,20)
InChIKeySTQOMIROAOJIHT-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
CID 78983867
N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 42542709
2-(4-benzoylpiperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 134049466
2-(1,3-dihydroisoindol-2-yl)-N-prop-2-ynylacetamide
CID 78946000
N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 47056927
[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
CID 136515283
2-(4-benzoylpiperidin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 16605881
2-[4-[2-(4-benzoylpiperidin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 16605926
2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide
CID 60507562
2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
CID 31313709
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 1437976

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide (CID 51322931) is 2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)CN1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide?
The InChIKey is STQOMIROAOJIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-10-18-16(20)13-19-11-8-15(9-12-19)17(21)14-6-4-3-5-7-14/h1,3-7,15H,8-13H2,(H,18,20).
What are the key properties of 2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide?
2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide has a molecular weight of 284.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 51322931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).