(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

C24H30N2O3 — CID 110087110

IUPAC(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2C)[C@@H]1c1ccccc1C
InChIInChI=1S/C24H30N2O3/c1-17-8-4-6-10-19(17)16-25-24(28)21-12-13-22(27)26(14-15-29-3)23(21)20-11-7-5-9-18(20)2/h4-11,21,23H,12-16H2,1-3H3,(H,25,28)/t21-,23+/m1/s1
InChIKeyPGKFQHOFEMAIRU-GGAORHGYSA-N
MW394.52 g/mol
LogP3.55
Rot. Bonds7

About (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 110087110) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID110087110
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2C)[C@@H]1c1ccccc1C
InChIInChI=1S/C24H30N2O3/c1-17-8-4-6-10-19(17)16-25-24(28)21-12-13-22(27)26(14-15-29-3)23(21)20-11-7-5-9-18(20)2/h4-11,21,23H,12-16H2,1-3H3,(H,25,28)/t21-,23+/m1/s1
InChIKeyPGKFQHOFEMAIRU-GGAORHGYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 110087110) is (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is COCCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2C)[C@@H]1c1ccccc1C.
What is the InChIKey of (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is PGKFQHOFEMAIRU-GGAORHGYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-8-4-6-10-19(17)16-25-24(28)21-12-13-22(27)26(14-15-29-3)23(21)20-11-7-5-9-18(20)2/h4-11,21,23H,12-16H2,1-3H3,(H,25,28)/t21-,23+/m1/s1.
What are the key properties of (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110087110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).