(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C22H27N3O3 — CID 110087023

IUPAC(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCOCCN1C(=O)CC[C@@H](C(=O)NCc2ccncc2)[C@@H]1c1ccccc1C
InChIInChI=1S/C22H27N3O3/c1-16-5-3-4-6-18(16)21-19(7-8-20(26)25(21)13-14-28-2)22(27)24-15-17-9-11-23-12-10-17/h3-6,9-12,19,21H,7-8,13-15H2,1-2H3,(H,24,27)/t19-,21+/m1/s1
InChIKeyPUDFYRUCNSDNHF-CTNGQTDRSA-N
MW381.48 g/mol
LogP2.63
Rot. Bonds7

About (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 110087023) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID110087023
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCOCCN1C(=O)CC[C@@H](C(=O)NCc2ccncc2)[C@@H]1c1ccccc1C
InChIInChI=1S/C22H27N3O3/c1-16-5-3-4-6-18(16)21-19(7-8-20(26)25(21)13-14-28-2)22(27)24-15-17-9-11-23-12-10-17/h3-6,9-12,19,21H,7-8,13-15H2,1-2H3,(H,24,27)/t19-,21+/m1/s1
InChIKeyPUDFYRUCNSDNHF-CTNGQTDRSA-N
XLogP2.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 110087023) is (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is COCCN1C(=O)CC[C@@H](C(=O)NCc2ccncc2)[C@@H]1c1ccccc1C.
What is the InChIKey of (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is PUDFYRUCNSDNHF-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-5-3-4-6-18(16)21-19(7-8-20(26)25(21)13-14-28-2)22(27)24-15-17-9-11-23-12-10-17/h3-6,9-12,19,21H,7-8,13-15H2,1-2H3,(H,24,27)/t19-,21+/m1/s1.
What are the key properties of (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 110087023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).