(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide

C24H30N2O3 — CID 110087105

IUPAC(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCCCc2ccccc2)[C@@H]1c1ccccc1OC
InChIInChI=1S/C24H30N2O3/c1-3-26-22(27)16-15-20(23(26)19-13-7-8-14-21(19)29-2)24(28)25-17-9-12-18-10-5-4-6-11-18/h4-8,10-11,13-14,20,23H,3,9,12,15-17H2,1-2H3,(H,25,28)/t20-,23+/m1/s1
InChIKeyUBNQSNHZKHRFLG-OFNKIYASSA-N
MW394.52 g/mol
LogP3.74
Rot. Bonds8

About (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide

(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 110087105) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID110087105
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCCCc2ccccc2)[C@@H]1c1ccccc1OC
InChIInChI=1S/C24H30N2O3/c1-3-26-22(27)16-15-20(23(26)19-13-7-8-14-21(19)29-2)24(28)25-17-9-12-18-10-5-4-6-11-18/h4-8,10-11,13-14,20,23H,3,9,12,15-17H2,1-2H3,(H,25,28)/t20-,23+/m1/s1
InChIKeyUBNQSNHZKHRFLG-OFNKIYASSA-N
XLogP3.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 110086952
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 110086940
3-[[(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118774
3-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118772
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24517524
1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 46521607
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 94065115
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 46521632
(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 94065116
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110086955
1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55629214

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide (CID 110087105) is (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NCCCc2ccccc2)[C@@H]1c1ccccc1OC.
What is the InChIKey of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is UBNQSNHZKHRFLG-OFNKIYASSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-26-22(27)16-15-20(23(26)19-13-7-8-14-21(19)29-2)24(28)25-17-9-12-18-10-5-4-6-11-18/h4-8,10-11,13-14,20,23H,3,9,12,15-17H2,1-2H3,(H,25,28)/t20-,23+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide?
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.74, 8 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)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 110087105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).