(2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

C16H22N2O4 — CID 91923723

IUPAC(2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOC[C@H]1NC(=O)CC[C@H]1C(=O)NCc1ccccc1OC
InChIInChI=1S/C16H22N2O4/c1-21-10-13-12(7-8-15(19)18-13)16(20)17-9-11-5-3-4-6-14(11)22-2/h3-6,12-13H,7-10H2,1-2H3,(H,17,20)(H,18,19)/t12-,13-/m1/s1
InChIKeyDKKRHGXCXXDELH-CHWSQXEVSA-N
MW306.36 g/mol
LogP0.85
Rot. Bonds6

About (2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

(2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 91923723) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID91923723
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOC[C@H]1NC(=O)CC[C@H]1C(=O)NCc1ccccc1OC
InChIInChI=1S/C16H22N2O4/c1-21-10-13-12(7-8-15(19)18-13)16(20)17-9-11-5-3-4-6-14(11)22-2/h3-6,12-13H,7-10H2,1-2H3,(H,17,20)(H,18,19)/t12-,13-/m1/s1
InChIKeyDKKRHGXCXXDELH-CHWSQXEVSA-N
XLogP0.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
cis-(1S,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945106
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
trans-(1R,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945107
2-N-(2-methoxyethyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109132921
1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136494
N-[(2-methoxyphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24708482
1-cyclohexyl-N-[(2-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 134798829
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110373885
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 91923723) is (2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is COC[C@H]1NC(=O)CC[C@H]1C(=O)NCc1ccccc1OC.
What is the InChIKey of (2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is DKKRHGXCXXDELH-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-10-13-12(7-8-15(19)18-13)16(20)17-9-11-5-3-4-6-14(11)22-2/h3-6,12-13H,7-10H2,1-2H3,(H,17,20)(H,18,19)/t12-,13-/m1/s1.
What are the key properties of (2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
(2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 91923723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).