(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

C23H28N2O3 — CID 110086940

IUPAC(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCc2ccc(C)cc2)[C@@H]1c1ccccc1OC
InChIInChI=1S/C23H28N2O3/c1-4-25-21(26)14-13-19(22(25)18-7-5-6-8-20(18)28-3)23(27)24-15-17-11-9-16(2)10-12-17/h5-12,19,22H,4,13-15H2,1-3H3,(H,24,27)/t19-,22+/m1/s1
InChIKeyFCDIPYZWHKDXMB-KNQAVFIVSA-N
MW380.49 g/mol
LogP3.62
Rot. Bonds6

About (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 110086940) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID110086940
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCc2ccc(C)cc2)[C@@H]1c1ccccc1OC
InChIInChI=1S/C23H28N2O3/c1-4-25-21(26)14-13-19(22(25)18-7-5-6-8-20(18)28-3)23(27)24-15-17-11-9-16(2)10-12-17/h5-12,19,22H,4,13-15H2,1-3H3,(H,24,27)/t19-,22+/m1/s1
InChIKeyFCDIPYZWHKDXMB-KNQAVFIVSA-N
XLogP3.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-1-butyl-2-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 9255593
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 110087105
1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 46521607
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 55390676
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 110086952
1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24584036
(2R,3R)-N-benzyl-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxamide
CID 110086831
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 43006887
(2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26909564
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 32695368
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 30535404

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 110086940) is (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NCc2ccc(C)cc2)[C@@H]1c1ccccc1OC.
What is the InChIKey of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is FCDIPYZWHKDXMB-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-25-21(26)14-13-19(22(25)18-7-5-6-8-20(18)28-3)23(27)24-15-17-11-9-16(2)10-12-17/h5-12,19,22H,4,13-15H2,1-3H3,(H,24,27)/t19-,22+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110086940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).