3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide

C13H17ClN2O2 — CID 114696153

IUPAC3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide
SMILESCC1(NC(=O)c2ccc(O)c(Cl)c2)CCNCC1
InChIInChI=1S/C13H17ClN2O2/c1-13(4-6-15-7-5-13)16-12(18)9-2-3-11(17)10(14)8-9/h2-3,8,15,17H,4-7H2,1H3,(H,16,18)
InChIKeyHQASFHAMKDLVNG-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.92
Rot. Bonds2

About 3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide

3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide (PubChem CID 114696153) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide
PubChem CID114696153
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide
SMILESCC1(NC(=O)c2ccc(O)c(Cl)c2)CCNCC1
InChIInChI=1S/C13H17ClN2O2/c1-13(4-6-15-7-5-13)16-12(18)9-2-3-11(17)10(14)8-9/h2-3,8,15,17H,4-7H2,1H3,(H,16,18)
InChIKeyHQASFHAMKDLVNG-UHFFFAOYSA-N
XLogP1.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide
CID 135187431
2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567340
N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide
CID 123155925
3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide
CID 103222033
3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide
CID 114696417
N-(1-carbamothioylcycloheptyl)-3-chloro-4-hydroxybenzamide
CID 61119183
3-hydroxy-N-(4-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 114696622
3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79840670
3-chloro-4-hydroxybenzohydrazide
CID 10954268
3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide
CID 106287730
4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide
CID 114696498
3-chloro-N-(1-methylcyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 176731238

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide (CID 114696153) is 3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide is CC1(NC(=O)c2ccc(O)c(Cl)c2)CCNCC1.
What is the InChIKey of 3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide?
The InChIKey is HQASFHAMKDLVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(4-6-15-7-5-13)16-12(18)9-2-3-11(17)10(14)8-9/h2-3,8,15,17H,4-7H2,1H3,(H,16,18).
What are the key properties of 3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide?
3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 114696153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).