3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide

C21H34N2O2 — CID 70712928

IUPAC3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCN(CCCN1CCCCC1)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C21H34N2O2/c1-21(2,25)12-11-18-9-7-10-19(17-18)20(24)22(3)13-8-16-23-14-5-4-6-15-23/h7,9-10,17,25H,4-6,8,11-16H2,1-3H3
InChIKeyJSDUPYPGNSLSDS-UHFFFAOYSA-N
MW346.51 g/mol
LogP3.34
Rot. Bonds8

About 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide

3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 70712928) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID70712928
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCN(CCCN1CCCCC1)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C21H34N2O2/c1-21(2,25)12-11-18-9-7-10-19(17-18)20(24)22(3)13-8-16-23-14-5-4-6-15-23/h7,9-10,17,25H,4-6,8,11-16H2,1-3H3
InChIKeyJSDUPYPGNSLSDS-UHFFFAOYSA-N
XLogP3.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 70747441
N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
CID 95862431
3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 95873193
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 70715084
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide
CID 122152760
N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
CID 95895767
N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 131950645
N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide
CID 59933143
3-[2-[[N'-[3-(azepan-1-yl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111668302
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 70761369
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 70786055
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70788922

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide (CID 70712928) is 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide is CN(CCCN1CCCCC1)C(=O)c1cccc(CCC(C)(C)O)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is JSDUPYPGNSLSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-21(2,25)12-11-18-9-7-10-19(17-18)20(24)22(3)13-8-16-23-14-5-4-6-15-23/h7,9-10,17,25H,4-6,8,11-16H2,1-3H3.
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 346.51 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 70712928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).