3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide

C13H18N2O3 — CID 79725951

IUPAC3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide
SMILESCOc1ccc(C(=O)NC2CCNCC2)cc1O
InChIInChI=1S/C13H18N2O3/c1-18-12-3-2-9(8-11(12)16)13(17)15-10-4-6-14-7-5-10/h2-3,8,10,14,16H,4-7H2,1H3,(H,15,17)
InChIKeyJDSRBFJCQUZWPU-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.88
Rot. Bonds3

About 3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide

3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide (PubChem CID 79725951) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide
PubChem CID79725951
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide
SMILESCOc1ccc(C(=O)NC2CCNCC2)cc1O
InChIInChI=1S/C13H18N2O3/c1-18-12-3-2-9(8-11(12)16)13(17)15-10-4-6-14-7-5-10/h2-3,8,10,14,16H,4-7H2,1H3,(H,15,17)
InChIKeyJDSRBFJCQUZWPU-UHFFFAOYSA-N
XLogP0.88
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3-hydroxy-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79725483
3-hydroxy-4-methoxy-N-(3-methoxycyclopentyl)benzamide
CID 103099443
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide
CID 79601075
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
N-(azepan-4-yl)-3-methoxy-4-nitrobenzamide
CID 105061010
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777
3-hydroxy-4-methoxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
CID 137335440
3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide
CID 172604568
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
2-(5-acetyl-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385762
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide (CID 79725951) is 3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide is COc1ccc(C(=O)NC2CCNCC2)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide?
The InChIKey is JDSRBFJCQUZWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-12-3-2-9(8-11(12)16)13(17)15-10-4-6-14-7-5-10/h2-3,8,10,14,16H,4-7H2,1H3,(H,15,17).
What are the key properties of 3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide?
3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 79725951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).