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

C16H22N2O5 — CID 91911597

IUPAC(2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide
SMILESCOC[C@H]1NC(=O)CC[C@H]1C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C16H22N2O5/c1-21-9-13-11(5-7-15(19)17-13)16(20)18-12-8-10(22-2)4-6-14(12)23-3/h4,6,8,11,13H,5,7,9H2,1-3H3,(H,17,19)(H,18,20)/t11-,13-/m1/s1
InChIKeyLLOFWYFRRLPCGZ-DGCLKSJQSA-N
MW322.36 g/mol
LogP1.18
Rot. Bonds6

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

(2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 91911597) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide
PubChem CID91911597
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name(2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide
SMILESCOC[C@H]1NC(=O)CC[C@H]1C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C16H22N2O5/c1-21-9-13-11(5-7-15(19)17-13)16(20)18-12-8-10(22-2)4-6-14(12)23-3/h4,6,8,11,13H,5,7,9H2,1-3H3,(H,17,19)(H,18,20)/t11-,13-/m1/s1
InChIKeyLLOFWYFRRLPCGZ-DGCLKSJQSA-N
XLogP1.18
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 531888
N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149662
1-allyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1483582
N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(trifluoroacetyl)piperazin-2-yl]acetamide
CID 2969220
N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide
CID 531821
Cyclohexanecarboxylic acid [2,5-dimethoxy-4-(2-piperidin-1-yl-acetylamino)-phenyl]-amide
CID 644523
N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 651777
N-(1-benzylpiperidin-4-yl)-N'-[4-(cyclopropanecarbonylamino)-2,5-dimethoxyphenyl]butanediamide
CID 1139154
3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
CID 2998948
N-(2,5-Dimethoxyphenyl)-4-({[2-(4-methyl-1-piperidinyl)-3,4-dioxo-1-cyclobuten-1-YL]amino}methyl)cyclohexanecarboxamide
CID 5309259
N-(2,5-Dimethoxy-phenyl)-3-[4-(3-phenyl-allyl)-piperazin-1-yl]-propionamide
CID 5730784
N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-8-propan-2-yl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 16024967

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide (CID 91911597) is (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide is COC[C@H]1NC(=O)CC[C@H]1C(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is LLOFWYFRRLPCGZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-21-9-13-11(5-7-15(19)17-13)16(20)18-12-8-10(22-2)4-6-14(12)23-3/h4,6,8,11,13H,5,7,9H2,1-3H3,(H,17,19)(H,18,20)/t11-,13-/m1/s1.
What are the key properties of (2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide?
(2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 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)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 91911597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).