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

C28H30N2O4 — CID 26917847

IUPAC(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H30N2O4/c1-19-4-10-22(11-5-19)30-26(31)17-16-25(27(30)21-8-14-24(34-3)15-9-21)28(32)29-18-20-6-12-23(33-2)13-7-20/h4-15,25,27H,16-18H2,1-3H3,(H,29,32)/t25-,27?/m0/s1
InChIKeyQHKUKSPWTFNDMC-PVCWFJFTSA-N
MW458.56 g/mol
LogP4.81
Rot. Bonds7

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

(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 26917847) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is (2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID26917847
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H30N2O4/c1-19-4-10-22(11-5-19)30-26(31)17-16-25(27(30)21-8-14-24(34-3)15-9-21)28(32)29-18-20-6-12-23(33-2)13-7-20/h4-15,25,27H,16-18H2,1-3H3,(H,29,32)/t25-,27?/m0/s1
InChIKeyQHKUKSPWTFNDMC-PVCWFJFTSA-N
XLogP4.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
N-(3-aminopropyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 119408864
N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112767965
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42989394
N-cyclopentyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43007439
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112791279
[2-(4-methylanilino)-2-oxoethyl] (2S,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 40785983
[2-(4-methylanilino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 4969539
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 55390676
N-cyclohexyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 15993815
(2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 92653033

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 26917847) is (2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is COc1ccc(CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)C2c2ccc(OC)cc2)cc1.
What is the InChIKey of (2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is QHKUKSPWTFNDMC-PVCWFJFTSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-19-4-10-22(11-5-19)30-26(31)17-16-25(27(30)21-8-14-24(34-3)15-9-21)28(32)29-18-20-6-12-23(33-2)13-7-20/h4-15,25,27H,16-18H2,1-3H3,(H,29,32)/t25-,27?/m0/s1.
What are the key properties of (2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 26917847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).