3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide

C17H22N2O2 — CID 60817013

IUPAC3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(C#CCCO)c2)CC1
InChIInChI=1S/C17H22N2O2/c1-19-10-8-16(9-11-19)18-17(21)15-7-4-6-14(13-15)5-2-3-12-20/h4,6-7,13,16,20H,3,8-12H2,1H3,(H,18,21)
InChIKeyPFPJLGLGOQNAKP-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.24
Rot. Bonds3

About 3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide

3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 60817013) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID60817013
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(C#CCCO)c2)CC1
InChIInChI=1S/C17H22N2O2/c1-19-10-8-16(9-11-19)18-17(21)15-7-4-6-14(13-15)5-2-3-12-20/h4,6-7,13,16,20H,3,8-12H2,1H3,(H,18,21)
InChIKeyPFPJLGLGOQNAKP-UHFFFAOYSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide 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

N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 64921078
3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167
N-cyclopropyl-3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzamide
CID 11150685
N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 60920511
3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
CID 60821489
3-formyl-N-(1-methylpiperidin-4-yl)benzamide
CID 90104631
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 60855444
3-(4-hydroxybut-1-ynyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 60817007
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
CID 62414049
5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 62958633
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide (CID 60817013) is 3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(NC(=O)c2cccc(C#CCCO)c2)CC1.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is PFPJLGLGOQNAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19-10-8-16(9-11-19)18-17(21)15-7-4-6-14(13-15)5-2-3-12-20/h4,6-7,13,16,20H,3,8-12H2,1H3,(H,18,21).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide?
3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 286.38 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 60817013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).