N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide

C16H24N2O2 — CID 103956695

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide
SMILESCCN1CCC(CNC(=O)c2ccc(O)c(C)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-18-8-6-13(7-9-18)11-17-16(20)14-4-5-15(19)12(2)10-14/h4-5,10,13,19H,3,6-9,11H2,1-2H3,(H,17,20)
InChIKeyADTLRUKFSNIHNZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.16
Rot. Bonds4

About N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide

N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide (PubChem CID 103956695) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide
PubChem CID103956695
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide
SMILESCCN1CCC(CNC(=O)c2ccc(O)c(C)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-18-8-6-13(7-9-18)11-17-16(20)14-4-5-15(19)12(2)10-14/h4-5,10,13,19H,3,6-9,11H2,1-2H3,(H,17,20)
InChIKeyADTLRUKFSNIHNZ-UHFFFAOYSA-N
XLogP2.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 103956686
4-hydroxy-3-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107671970
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63212001
4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
CID 103872708
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035
6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 62162133
4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103951674
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
4-hydrazinyl-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63211845

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide (CID 103956695) is N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide is CCN1CCC(CNC(=O)c2ccc(O)c(C)c2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide?
The InChIKey is ADTLRUKFSNIHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18-8-6-13(7-9-18)11-17-16(20)14-4-5-15(19)12(2)10-14/h4-5,10,13,19H,3,6-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide?
N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 103956695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).