(2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide

C17H24N2O5 — CID 91911601

IUPAC(2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCOC[C@@H]1[C@H](C(=O)Nc2cc(OC)ccc2OC)CCC(=O)N1C
InChIInChI=1S/C17H24N2O5/c1-19-14(10-22-2)12(6-8-16(19)20)17(21)18-13-9-11(23-3)5-7-15(13)24-4/h5,7,9,12,14H,6,8,10H2,1-4H3,(H,18,21)/t12-,14-/m1/s1
InChIKeyLIMBOLFNOYKPJW-TZMCWYRMSA-N
MW336.39 g/mol
LogP1.53
Rot. Bonds6

About (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide

(2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 91911601) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide
PubChem CID91911601
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name(2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCOC[C@@H]1[C@H](C(=O)Nc2cc(OC)ccc2OC)CCC(=O)N1C
InChIInChI=1S/C17H24N2O5/c1-19-14(10-22-2)12(6-8-16(19)20)17(21)18-13-9-11(23-3)5-7-15(13)24-4/h5,7,9,12,14H,6,8,10H2,1-4H3,(H,18,21)/t12-,14-/m1/s1
InChIKeyLIMBOLFNOYKPJW-TZMCWYRMSA-N
XLogP1.53
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073875
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
N-(2,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 13368854
(2S)-N-[5-(3-chloro-4-cyanophenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073787
N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182581
N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073602
1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909214
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
2-N-(2,5-dimethoxyphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130753
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139753

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide (CID 91911601) is (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide is COC[C@@H]1[C@H](C(=O)Nc2cc(OC)ccc2OC)CCC(=O)N1C.
What is the InChIKey of (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is LIMBOLFNOYKPJW-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-19-14(10-22-2)12(6-8-16(19)20)17(21)18-13-9-11(23-3)5-7-15(13)24-4/h5,7,9,12,14H,6,8,10H2,1-4H3,(H,18,21)/t12-,14-/m1/s1.
What are the key properties of (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide?
(2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 91911601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).