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

C13H17ClN2O2 — CID 63644238

IUPAC3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(O)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C13H17ClN2O2/c1-16(10-3-2-6-15-8-10)13(18)9-4-5-12(17)11(14)7-9/h4-5,7,10,15,17H,2-3,6,8H2,1H3
InChIKeyDULPBRWDGRMZIQ-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.87
Rot. Bonds2

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

3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide (PubChem CID 63644238) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide
PubChem CID63644238
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(O)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C13H17ClN2O2/c1-16(10-3-2-6-15-8-10)13(18)9-4-5-12(17)11(14)7-9/h4-5,7,10,15,17H,2-3,6,8H2,1H3
InChIKeyDULPBRWDGRMZIQ-UHFFFAOYSA-N
XLogP1.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
CID 43409239
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
N-(azepan-4-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107728861
3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 81476273
N-(azepan-4-yl)-3-chloro-4-iodo-N-methylbenzamide
CID 104974458
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
N,3-dimethyl-N-piperidin-3-ylbenzamide
CID 60807215
3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110979
N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide
CID 63641936
5-hydroxy-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide
CID 63850199
3,5-dimethoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 60807213
3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
CID 103737051

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide (CID 63644238) is 3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide is CN(C(=O)c1ccc(O)c(Cl)c1)C1CCCNC1.
What is the InChIKey of 3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide?
The InChIKey is DULPBRWDGRMZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(10-3-2-6-15-8-10)13(18)9-4-5-12(17)11(14)7-9/h4-5,7,10,15,17H,2-3,6,8H2,1H3.
What are the key properties of 3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide?
3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide has a molecular weight of 268.74 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 63644238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).