3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide

C20H32N2O3 — CID 95873193

IUPAC3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCCCN2CCC[C@H](O)C2)c1
InChIInChI=1S/C20H32N2O3/c1-20(2,25)10-9-16-6-3-7-17(14-16)19(24)21-11-5-13-22-12-4-8-18(23)15-22/h3,6-7,14,18,23,25H,4-5,8-13,15H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyMJHQQLKHNSXICH-SFHVURJKSA-N
MW348.49 g/mol
LogP1.97
Rot. Bonds8

About 3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide

3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide (PubChem CID 95873193) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
PubChem CID95873193
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCCCN2CCC[C@H](O)C2)c1
InChIInChI=1S/C20H32N2O3/c1-20(2,25)10-9-16-6-3-7-17(14-16)19(24)21-11-5-13-22-12-4-8-18(23)15-22/h3,6-7,14,18,23,25H,4-5,8-13,15H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyMJHQQLKHNSXICH-SFHVURJKSA-N
XLogP1.97
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzamide
CID 95896352
4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 125170855
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70788922
3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 125444247
3-(3-hydroxy-3-methylbutyl)-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]benzamide
CID 95872723
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 70770536
3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 143176255
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 70712928
N-[3-(3-hydroxypiperidin-1-yl)propyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 45229950
3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 70749711
3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
CID 95894673
3-(3-hydroxy-3-methylbutyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 95894197

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide (CID 95873193) is 3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide is CC(C)(O)CCc1cccc(C(=O)NCCCN2CCC[C@H](O)C2)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The InChIKey is MJHQQLKHNSXICH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-20(2,25)10-9-16-6-3-7-17(14-16)19(24)21-11-5-13-22-12-4-8-18(23)15-22/h3,6-7,14,18,23,25H,4-5,8-13,15H2,1-2H3,(H,21,24)/t18-/m0/s1.
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide?
3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide has a molecular weight of 348.49 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 95873193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).