3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide

C17H22N2O2 — CID 81458784

IUPAC3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCCN(C)C2)cc1C#CCO
InChIInChI=1S/C17H22N2O2/c1-13-7-8-15(11-14(13)5-4-10-20)17(21)18-16-6-3-9-19(2)12-16/h7-8,11,16,20H,3,6,9-10,12H2,1-2H3,(H,18,21)
InChIKeySCCYNLIAAZXSNP-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.16
Rot. Bonds2

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

3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 81458784) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID81458784
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCCN(C)C2)cc1C#CCO
InChIInChI=1S/C17H22N2O2/c1-13-7-8-15(11-14(13)5-4-10-20)17(21)18-16-6-3-9-19(2)12-16/h7-8,11,16,20H,3,6,9-10,12H2,1-2H3,(H,18,21)
InChIKeySCCYNLIAAZXSNP-UHFFFAOYSA-N
XLogP1.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81460687
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
CID 61223453
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 107521495
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 66484211
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
CID 61223454
[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 81476762
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998661
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107521646
4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 47422175

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide (CID 81458784) is 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide is Cc1ccc(C(=O)NC2CCCN(C)C2)cc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is SCCYNLIAAZXSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-7-8-15(11-14(13)5-4-10-20)17(21)18-16-6-3-9-19(2)12-16/h7-8,11,16,20H,3,6,9-10,12H2,1-2H3,(H,18,21).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide?
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 286.38 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 81458784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).