2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide

C14H16ClN3O2 — CID 106500981

IUPAC2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
SMILESCN1CCC(C#N)(NC(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C14H16ClN3O2/c1-18-6-4-14(9-16,5-7-18)17-13(20)11-8-10(19)2-3-12(11)15/h2-3,8,19H,4-7H2,1H3,(H,17,20)
InChIKeyDBNPJROLFZXORO-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.76
Rot. Bonds2

About 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide

2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide (PubChem CID 106500981) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
PubChem CID106500981
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
SMILESCN1CCC(C#N)(NC(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C14H16ClN3O2/c1-18-6-4-14(9-16,5-7-18)17-13(20)11-8-10(19)2-3-12(11)15/h2-3,8,19H,4-7H2,1H3,(H,17,20)
InChIKeyDBNPJROLFZXORO-UHFFFAOYSA-N
XLogP1.76
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide
CID 54904713
2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide
CID 60967999
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
CID 61124140
N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide
CID 115674649
N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide
CID 60967121
5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide
CID 54912686
5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110473984
1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile
CID 107160760
N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide
CID 23500829
2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
CID 62505287
1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 106500330
2-chloro-5-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 106502165

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide?
The IUPAC name of 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide (CID 106500981) is 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide is CN1CCC(C#N)(NC(=O)c2cc(O)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide?
The InChIKey is DBNPJROLFZXORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-18-6-4-14(9-16,5-7-18)17-13(20)11-8-10(19)2-3-12(11)15/h2-3,8,19H,4-7H2,1H3,(H,17,20).
What are the key properties of 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide?
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide has a molecular weight of 293.75 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide is sourced from PubChem (CID 106500981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).