(2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

C25H26N2O4 — CID 26909564

IUPAC(2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1[C@@H]1[C@H](C(=O)NCc2ccco2)CCC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C25H26N2O4/c1-17-9-11-18(12-10-17)27-23(28)14-13-21(25(29)26-16-19-6-5-15-31-19)24(27)20-7-3-4-8-22(20)30-2/h3-12,15,21,24H,13-14,16H2,1-2H3,(H,26,29)/t21-,24-/m1/s1
InChIKeyZPSNIXADAVRFMO-ZJSXRUAMSA-N
MW418.49 g/mol
LogP4.40
Rot. Bonds6

About (2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

(2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 26909564) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is (2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID26909564
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name(2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1[C@@H]1[C@H](C(=O)NCc2ccco2)CCC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C25H26N2O4/c1-17-9-11-18(12-10-17)27-23(28)14-13-21(25(29)26-16-19-6-5-15-31-19)24(27)20-7-3-4-8-22(20)30-2/h3-12,15,21,24H,13-14,16H2,1-2H3,(H,26,29)/t21-,24-/m1/s1
InChIKeyZPSNIXADAVRFMO-ZJSXRUAMSA-N
XLogP4.40
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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JW 55
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N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307
Furan-2-carboxamide deriv., 5
CID 44236892
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-5-methylfuran-2-carboxamide
CID 44236893
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
N-(4-(((4-(4-Methoxyphenyl)oxan-4-Yl)methyl)carbamoyl)phenyl)-5-Methylfuran-2-Carboxamide
CID 71622125
3-[(2s)-1-Acetyl-4-(Furan-2-Carbonyl)-2-Methyl-1,2,3,4-Tetrahydroquinoxalin-6-Yl]-N-Methylbenzamide
CID 118080305
N-[3-(5-acetyl-2-ethoxyphenyl)-5-(2,5-dimethyl-3-oxo-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 134812725
N-[3-(5-acetyl-2-ethoxyphenyl)-5-(2-ethyl-5-methyl-3-oxo-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 26909564) is (2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is COc1ccccc1[C@@H]1[C@H](C(=O)NCc2ccco2)CCC(=O)N1c1ccc(C)cc1.
What is the InChIKey of (2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is ZPSNIXADAVRFMO-ZJSXRUAMSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-9-11-18(12-10-17)27-23(28)14-13-21(25(29)26-16-19-6-5-15-31-19)24(27)20-7-3-4-8-22(20)30-2/h3-12,15,21,24H,13-14,16H2,1-2H3,(H,26,29)/t21-,24-/m1/s1.
What are the key properties of (2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
(2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 26909564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).