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

C23H29N3O3 — CID 175658073

IUPAC(2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(CCO)Cc2ccccn2)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C23H29N3O3/c1-3-26-21(28)12-11-20(22(26)18-9-7-17(2)8-10-18)23(29)25(14-15-27)16-19-6-4-5-13-24-19/h4-10,13,20,22,27H,3,11-12,14-16H2,1-2H3/t20-,22+/m1/s1
InChIKeySFESDSDQGOVJRZ-IRLDBZIGSA-N
MW395.50 g/mol
LogP2.71
Rot. Bonds7

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

(2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 175658073) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID175658073
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name(2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(CCO)Cc2ccccn2)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C23H29N3O3/c1-3-26-21(28)12-11-20(22(26)18-9-7-17(2)8-10-18)23(29)25(14-15-27)16-19-6-4-5-13-24-19/h4-10,13,20,22,27H,3,11-12,14-16H2,1-2H3/t20-,22+/m1/s1
InChIKeySFESDSDQGOVJRZ-IRLDBZIGSA-N
XLogP2.71
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 175658073) is (2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)N(CCO)Cc2ccccn2)[C@@H]1c1ccc(C)cc1.
What is the InChIKey of (2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is SFESDSDQGOVJRZ-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-26-21(28)12-11-20(22(26)18-9-7-17(2)8-10-18)23(29)25(14-15-27)16-19-6-4-5-13-24-19/h4-10,13,20,22,27H,3,11-12,14-16H2,1-2H3/t20-,22+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 175658073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).