3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide

C13H18N2O2 — CID 115279771

IUPAC3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide
SMILESCc1ccc(C(=O)NN2CCCCC2)cc1O
InChIInChI=1S/C13H18N2O2/c1-10-5-6-11(9-12(10)16)13(17)14-15-7-3-2-4-8-15/h5-6,9,16H,2-4,7-8H2,1H3,(H,14,17)
InChIKeyVWTGXUKFYYGOES-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.83
Rot. Bonds2

About 3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide

3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide (PubChem CID 115279771) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide
PubChem CID115279771
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide
SMILESCc1ccc(C(=O)NN2CCCCC2)cc1O
InChIInChI=1S/C13H18N2O2/c1-10-5-6-11(9-12(10)16)13(17)14-15-7-3-2-4-8-15/h5-6,9,16H,2-4,7-8H2,1H3,(H,14,17)
InChIKeyVWTGXUKFYYGOES-UHFFFAOYSA-N
XLogP1.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

m-Hydroxybenzohydrazide
CID 79889
2-Hydroxy-4-methylbenzohydrazide
CID 24709215
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3-Hydroxy-4-methylbenzamide
CID 354089
N-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybenzamide
CID 12773019
N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide
CID 101134355
3-hydroxy-N,N,4-trimethylbenzamide
CID 28394597
N-(4-Fluorobenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 51188561
1-[1-(3-Hydroxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidin-2-one
CID 56873264
3-hydroxy-N'-(3-hydroxybenzoyl)benzohydrazide
CID 20557190
1-(3-Hydroxy-4-methylbenzoyl)-3-methylpiperidine-3-carbonitrile
CID 77086550
3-hydroxy-N-[(2S)-2-(hydroxymethyl)-2-methylbutyl]-4-methylbenzamide
CID 97804380

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide (CID 115279771) is 3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide is Cc1ccc(C(=O)NN2CCCCC2)cc1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide?
The InChIKey is VWTGXUKFYYGOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-5-6-11(9-12(10)16)13(17)14-15-7-3-2-4-8-15/h5-6,9,16H,2-4,7-8H2,1H3,(H,14,17).
What are the key properties of 3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide?
3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 115279771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).