N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide

C15H21FN2O2 — CID 107014745

IUPACN-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESCCC1CCCNC1CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C15H21FN2O2/c1-2-10-5-4-8-17-12(10)9-18-15(20)14-11(16)6-3-7-13(14)19/h3,6-7,10,12,17,19H,2,4-5,8-9H2,1H3,(H,18,20)
InChIKeySEPOXQDRMRRDRN-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.04
Rot. Bonds4

About N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide

N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 107014745) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
PubChem CID107014745
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESCCC1CCCNC1CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C15H21FN2O2/c1-2-10-5-4-8-17-12(10)9-18-15(20)14-11(16)6-3-7-13(14)19/h3,6-7,10,12,17,19H,2,4-5,8-9H2,1H3,(H,18,20)
InChIKeySEPOXQDRMRRDRN-UHFFFAOYSA-N
XLogP2.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
CID 82732402
N-[(3-ethylpiperidin-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 82734161
2-fluoro-6-hydroxy-N-[(2-methylcyclohexyl)methyl]benzamide
CID 107015192
1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea
CID 82734312
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-4-methoxybenzamide
CID 82732421
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-5-methoxybenzamide
CID 82731920
2-ethoxy-N-[(3-ethylpiperidin-2-yl)methyl]benzamide
CID 82732420
N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 82732425
N-[(3-ethylpiperidin-2-yl)methyl]acetamide
CID 82734521
1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea
CID 82733939
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide
CID 82731476

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide (CID 107014745) is N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide is CCC1CCCNC1CNC(=O)c1c(O)cccc1F.
What is the InChIKey of N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is SEPOXQDRMRRDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-10-5-4-8-17-12(10)9-18-15(20)14-11(16)6-3-7-13(14)19/h3,6-7,10,12,17,19H,2,4-5,8-9H2,1H3,(H,18,20).
What are the key properties of N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide?
N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107014745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).