N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide

C17H24N2O3 — CID 154878066

IUPACN-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)C1CCCN(C(C)=O)C1
InChIInChI=1S/C17H24N2O3/c1-13(20)19-10-6-8-15(12-19)18(2)17(21)11-14-7-4-5-9-16(14)22-3/h4-5,7,9,15H,6,8,10-12H2,1-3H3
InChIKeyATXSEPREFDUKCV-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.71
Rot. Bonds4

About N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide

N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide (PubChem CID 154878066) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide
PubChem CID154878066
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)C1CCCN(C(C)=O)C1
InChIInChI=1S/C17H24N2O3/c1-13(20)19-10-6-8-15(12-19)18(2)17(21)11-14-7-4-5-9-16(14)22-3/h4-5,7,9,15H,6,8,10-12H2,1-3H3
InChIKeyATXSEPREFDUKCV-UHFFFAOYSA-N
XLogP1.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124987309
2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
CID 71910234
N-(azetidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 66188008
N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 97237972
N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide
CID 163781928
1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 154788161
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide
CID 42381909
2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
CID 23723336
1-[4-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]piperidin-1-yl]ethanone
CID 25454138
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110799375
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113162924

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide (CID 154878066) is N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide is COc1ccccc1CC(=O)N(C)C1CCCN(C(C)=O)C1.
What is the InChIKey of N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide?
The InChIKey is ATXSEPREFDUKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(20)19-10-6-8-15(12-19)18(2)17(21)11-14-7-4-5-9-16(14)22-3/h4-5,7,9,15H,6,8,10-12H2,1-3H3.
What are the key properties of N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide?
N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 154878066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).