N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide

C16H24N2O3 — CID 82732402

IUPACN-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
SMILESCCC1CCCNC1CNC(=O)c1cccc(OC)c1O
InChIInChI=1S/C16H24N2O3/c1-3-11-6-5-9-17-13(11)10-18-16(20)12-7-4-8-14(21-2)15(12)19/h4,7-8,11,13,17,19H,3,5-6,9-10H2,1-2H3,(H,18,20)
InChIKeyKHILENCYHWRSOX-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.91
Rot. Bonds5

About N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide

N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide (PubChem CID 82732402) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
PubChem CID82732402
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
SMILESCCC1CCCNC1CNC(=O)c1cccc(OC)c1O
InChIInChI=1S/C16H24N2O3/c1-3-11-6-5-9-17-13(11)10-18-16(20)12-7-4-8-14(21-2)15(12)19/h4,7-8,11,13,17,19H,3,5-6,9-10H2,1-2H3,(H,18,20)
InChIKeyKHILENCYHWRSOX-UHFFFAOYSA-N
XLogP1.91
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(3-ethylpiperidin-2-yl)methyl]benzamide
CID 82732420
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-4-methoxybenzamide
CID 82732421
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-5-methoxybenzamide
CID 82731920
N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 107014745
N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide
CID 82731476
2-methoxy-N-[(3-methylpiperidin-2-yl)methyl]benzamide
CID 63304743
N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 82732425
2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide
CID 61380888
N-[(3-ethylpiperidin-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 82734161
N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 106132057
N-[(3-ethylpiperidin-2-yl)methyl]acetamide
CID 82734521
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide (CID 82732402) is N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide is CCC1CCCNC1CNC(=O)c1cccc(OC)c1O.
What is the InChIKey of N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide?
The InChIKey is KHILENCYHWRSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-11-6-5-9-17-13(11)10-18-16(20)12-7-4-8-14(21-2)15(12)19/h4,7-8,11,13,17,19H,3,5-6,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide?
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 82732402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).