N-(azepan-4-yl)-2,6-dihydroxybenzamide

C13H18N2O3 — CID 107690520

IUPACN-(azepan-4-yl)-2,6-dihydroxybenzamide
SMILESO=C(NC1CCCNCC1)c1c(O)cccc1O
InChIInChI=1S/C13H18N2O3/c16-10-4-1-5-11(17)12(10)13(18)15-9-3-2-7-14-8-6-9/h1,4-5,9,14,16-17H,2-3,6-8H2,(H,15,18)
InChIKeyKRAFMKSHYPEESR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.97
Rot. Bonds2

About N-(azepan-4-yl)-2,6-dihydroxybenzamide

N-(azepan-4-yl)-2,6-dihydroxybenzamide (PubChem CID 107690520) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(azepan-4-yl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2,6-dihydroxybenzamide
PubChem CID107690520
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(azepan-4-yl)-2,6-dihydroxybenzamide
SMILESO=C(NC1CCCNCC1)c1c(O)cccc1O
InChIInChI=1S/C13H18N2O3/c16-10-4-1-5-11(17)12(10)13(18)15-9-3-2-7-14-8-6-9/h1,4-5,9,14,16-17H,2-3,6-8H2,(H,15,18)
InChIKeyKRAFMKSHYPEESR-UHFFFAOYSA-N
XLogP0.97
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
N-(azepan-4-yl)-2,3-dimethylbenzamide
CID 105060973
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
N-(azepan-4-yl)-1H-indole-4-carboxamide
CID 107172324
N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide
CID 107172227
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide
CID 107690219

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(azepan-4-yl)-2,6-dihydroxybenzamide (CID 107690520) is N-(azepan-4-yl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(azepan-4-yl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(azepan-4-yl)-2,6-dihydroxybenzamide is O=C(NC1CCCNCC1)c1c(O)cccc1O.
What is the InChIKey of N-(azepan-4-yl)-2,6-dihydroxybenzamide?
The InChIKey is KRAFMKSHYPEESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-10-4-1-5-11(17)12(10)13(18)15-9-3-2-7-14-8-6-9/h1,4-5,9,14,16-17H,2-3,6-8H2,(H,15,18).
What are the key properties of N-(azepan-4-yl)-2,6-dihydroxybenzamide?
N-(azepan-4-yl)-2,6-dihydroxybenzamide has a molecular weight of 250.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107690520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).