2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide

C12H15FN2O2 — CID 107016089

IUPAC2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCNC1)c1c(O)cccc1F
InChIInChI=1S/C12H15FN2O2/c13-9-4-1-5-10(16)11(9)12(17)15-8-3-2-6-14-7-8/h1,4-5,8,14,16H,2-3,6-7H2,(H,15,17)/t8-/m0/s1
InChIKeyKAIDJVAJZKTTNV-QMMMGPOBSA-N
MW238.26 g/mol
LogP1.01
Rot. Bonds2

About 2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide

2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide (PubChem CID 107016089) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
PubChem CID107016089
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCNC1)c1c(O)cccc1F
InChIInChI=1S/C12H15FN2O2/c13-9-4-1-5-10(16)11(9)12(17)15-8-3-2-6-14-7-8/h1,4-5,8,14,16H,2-3,6-7H2,(H,15,17)/t8-/m0/s1
InChIKeyKAIDJVAJZKTTNV-QMMMGPOBSA-N
XLogP1.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
N-(azepan-4-yl)-2,6-dihydroxybenzamide
CID 107690520
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide
CID 107014738
2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide
CID 104982388
2-fluoro-6-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014712
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide (CID 107016089) is 2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide is O=C(N[C@H]1CCCNC1)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is KAIDJVAJZKTTNV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-4-1-5-10(16)11(9)12(17)15-8-3-2-6-14-7-8/h1,4-5,8,14,16H,2-3,6-7H2,(H,15,17)/t8-/m0/s1.
What are the key properties of 2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide?
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 238.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 107016089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).