2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide

C16H24N2O2 — CID 47379683

IUPAC2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
SMILESCC1CCCN(CC(C)NC(=O)c2ccccc2O)C1
InChIInChI=1S/C16H24N2O2/c1-12-6-5-9-18(10-12)11-13(2)17-16(20)14-7-3-4-8-15(14)19/h3-4,7-8,12-13,19H,5-6,9-11H2,1-2H3,(H,17,20)
InChIKeyPHVVWKZYQNJVAF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.24
Rot. Bonds4

About 2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide

2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide (PubChem CID 47379683) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
PubChem CID47379683
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
SMILESCC1CCCN(CC(C)NC(=O)c2ccccc2O)C1
InChIInChI=1S/C16H24N2O2/c1-12-6-5-9-18(10-12)11-13(2)17-16(20)14-7-3-4-8-15(14)19/h3-4,7-8,12-13,19H,5-6,9-11H2,1-2H3,(H,17,20)
InChIKeyPHVVWKZYQNJVAF-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide (CID 47379683) is 2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide is CC1CCCN(CC(C)NC(=O)c2ccccc2O)C1.
What is the InChIKey of 2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide?
The InChIKey is PHVVWKZYQNJVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-5-9-18(10-12)11-13(2)17-16(20)14-7-3-4-8-15(14)19/h3-4,7-8,12-13,19H,5-6,9-11H2,1-2H3,(H,17,20).
What are the key properties of 2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide?
2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 47379683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).