(2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C22H27N3O4 — CID 110087619

IUPAC(2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCOCCN1C(=O)CC[C@@H](C(=O)NCc2ccccn2)C1c1cccc(OC)c1
InChIInChI=1S/C22H27N3O4/c1-28-13-12-25-20(26)10-9-19(21(25)16-6-5-8-18(14-16)29-2)22(27)24-15-17-7-3-4-11-23-17/h3-8,11,14,19,21H,9-10,12-13,15H2,1-2H3,(H,24,27)/t19-,21?/m1/s1
InChIKeyZMLFQQISMLEHIF-YMBRHYMPSA-N
MW397.48 g/mol
LogP2.33
Rot. Bonds8

About (2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 110087619) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID110087619
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name(2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCOCCN1C(=O)CC[C@@H](C(=O)NCc2ccccn2)C1c1cccc(OC)c1
InChIInChI=1S/C22H27N3O4/c1-28-13-12-25-20(26)10-9-19(21(25)16-6-5-8-18(14-16)29-2)22(27)24-15-17-7-3-4-11-23-17/h3-8,11,14,19,21H,9-10,12-13,15H2,1-2H3,(H,24,27)/t19-,21?/m1/s1
InChIKeyZMLFQQISMLEHIF-YMBRHYMPSA-N
XLogP2.33
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 110087618
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086760
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086759
(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
CID 95282069
(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 110087110
1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110687259
(5S)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one
CID 26355058
(5R)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one
CID 26355055
(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851331
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97151949
(5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 110087715
2-N-[2-(4-methoxyphenoxy)ethyl]-1-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136894

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 110087619) is (2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is COCCN1C(=O)CC[C@@H](C(=O)NCc2ccccn2)C1c1cccc(OC)c1.
What is the InChIKey of (2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is ZMLFQQISMLEHIF-YMBRHYMPSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-13-12-25-20(26)10-9-19(21(25)16-6-5-8-18(14-16)29-2)22(27)24-15-17-7-3-4-11-23-17/h3-8,11,14,19,21H,9-10,12-13,15H2,1-2H3,(H,24,27)/t19-,21?/m1/s1.
What are the key properties of (2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 110087619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).