3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid

C18H24N2O5 — CID 119362478

IUPAC3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid
SMILESCOc1ccc(C2C(C(=O)N(C)CCC(=O)O)CCC(=O)N2C)cc1
InChIInChI=1S/C18H24N2O5/c1-19(11-10-16(22)23)18(24)14-8-9-15(21)20(2)17(14)12-4-6-13(25-3)7-5-12/h4-7,14,17H,8-11H2,1-3H3,(H,22,23)
InChIKeyIDTBZDGBLGDHPC-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.54
Rot. Bonds6

About 3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid

3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid (PubChem CID 119362478) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid
PubChem CID119362478
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid
SMILESCOc1ccc(C2C(C(=O)N(C)CCC(=O)O)CCC(=O)N2C)cc1
InChIInChI=1S/C18H24N2O5/c1-19(11-10-16(22)23)18(24)14-8-9-15(21)20(2)17(14)12-4-6-13(25-3)7-5-12/h4-7,14,17H,8-11H2,1-3H3,(H,22,23)
InChIKeyIDTBZDGBLGDHPC-UHFFFAOYSA-N
XLogP1.54
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N,1-dimethyl-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
CID 171130298
(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740265
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160
2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
CID 171143895
4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid
CID 119172685
3-[methyl-[(2R,3S)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 125151099
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 91954117
(5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 95740299
(2S,3R)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740236
(5S,6S)-5-(hydroxymethyl)-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 95240640

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid (CID 119362478) is 3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid is COc1ccc(C2C(C(=O)N(C)CCC(=O)O)CCC(=O)N2C)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is IDTBZDGBLGDHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-19(11-10-16(22)23)18(24)14-8-9-15(21)20(2)17(14)12-4-6-13(25-3)7-5-12/h4-7,14,17H,8-11H2,1-3H3,(H,22,23).
What are the key properties of 3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid?
3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 348.40 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119362478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).