(2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C27H31N3O5 — CID 31455747

IUPAC(2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(C(C)(C)C)no3)[C@@H]2c2ccccc2OC)cc1
InChIInChI=1S/C27H31N3O5/c1-27(2,3)22-16-23(35-29-22)28-26(32)20-14-15-24(31)30(17-10-12-18(33-4)13-11-17)25(20)19-8-6-7-9-21(19)34-5/h6-13,16,20,25H,14-15H2,1-5H3,(H,28,32)/t20-,25+/m1/s1
InChIKeyJLOPIAFJCFIWCS-NLFFAJNJSA-N
MW477.56 g/mol
LogP5.11
Rot. Bonds6

About (2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

(2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 31455747) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is (2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID31455747
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Name(2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(C(C)(C)C)no3)[C@@H]2c2ccccc2OC)cc1
InChIInChI=1S/C27H31N3O5/c1-27(2,3)22-16-23(35-29-22)28-26(32)20-14-15-24(31)30(17-10-12-18(33-4)13-11-17)25(20)19-8-6-7-9-21(19)34-5/h6-13,16,20,25H,14-15H2,1-5H3,(H,28,32)/t20-,25+/m1/s1
InChIKeyJLOPIAFJCFIWCS-NLFFAJNJSA-N
XLogP5.11
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 77437771
(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 40863526
N-(4-acetylphenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42999456
(2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250930
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250931
N-(1-cyclopropylethyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55385087
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide
CID 43056144
(2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 25472876
(2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 40863511
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 16548280
(2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26011864

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 31455747) is (2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(C(C)(C)C)no3)[C@@H]2c2ccccc2OC)cc1.
What is the InChIKey of (2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is JLOPIAFJCFIWCS-NLFFAJNJSA-N. The full InChI is InChI=1S/C27H31N3O5/c1-27(2,3)22-16-23(35-29-22)28-26(32)20-14-15-24(31)30(17-10-12-18(33-4)13-11-17)25(20)19-8-6-7-9-21(19)34-5/h6-13,16,20,25H,14-15H2,1-5H3,(H,28,32)/t20-,25+/m1/s1.
What are the key properties of (2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
(2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 31455747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).