3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide

C16H24N2O3 — CID 79737443

IUPAC3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CCC2CCCCN2)cc1O
InChIInChI=1S/C16H24N2O3/c1-18(10-8-13-5-3-4-9-17-13)16(20)12-6-7-15(21-2)14(19)11-12/h6-7,11,13,17,19H,3-5,8-10H2,1-2H3
InChIKeyVCUHKDBGDFWGKX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.01
Rot. Bonds5

About 3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide

3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide (PubChem CID 79737443) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
PubChem CID79737443
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CCC2CCCCN2)cc1O
InChIInChI=1S/C16H24N2O3/c1-18(10-8-13-5-3-4-9-17-13)16(20)12-6-7-15(21-2)14(19)11-12/h6-7,11,13,17,19H,3-5,8-10H2,1-2H3
InChIKeyVCUHKDBGDFWGKX-UHFFFAOYSA-N
XLogP2.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N,4-dimethyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187175
3,4-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187173
3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 79601084
3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210219
methyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187204
2-ethoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187149
3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210196
3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide
CID 114760478
3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553
1-(3-ethyl-4-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116916982
3-methoxy-N,4-dimethyl-N-(2-piperidin-4-ylethyl)benzamide
CID 60914907
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79672225

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide (CID 79737443) is 3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide is COc1ccc(C(=O)N(C)CCC2CCCCN2)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide?
The InChIKey is VCUHKDBGDFWGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18(10-8-13-5-3-4-9-17-13)16(20)12-6-7-15(21-2)14(19)11-12/h6-7,11,13,17,19H,3-5,8-10H2,1-2H3.
What are the key properties of 3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide?
3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide has a molecular weight of 292.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide is sourced from PubChem (CID 79737443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).