[2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C24H28N2O6 — CID 4882684

IUPAC[2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCNC(=O)COC(=O)C1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C24H28N2O6/c1-4-25-21(27)15-32-24(29)20-13-14-22(28)26(17-7-11-19(31-3)12-8-17)23(20)16-5-9-18(30-2)10-6-16/h5-12,20,23H,4,13-15H2,1-3H3,(H,25,27)
InChIKeyIXKPYECWMPSXOQ-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.87
Rot. Bonds8

About [2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

[2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 4882684) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID4882684
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name[2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCNC(=O)COC(=O)C1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C24H28N2O6/c1-4-25-21(27)15-32-24(29)20-13-14-22(28)26(17-7-11-19(31-3)12-8-17)23(20)16-5-9-18(30-2)10-6-16/h5-12,20,23H,4,13-15H2,1-3H3,(H,25,27)
InChIKeyIXKPYECWMPSXOQ-UHFFFAOYSA-N
XLogP2.87
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate with MolForge

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Related Compounds

Succinamide peptidomimetic, 34
CID 11203484
Arylaminoethyl carbamate, 11
CID 23648373
Arylaminoethyl carbamate, 12
CID 23648374
Arylaminoethyl carbamate, 13
CID 23648375
Arylaminoethyl carbamate, 14
CID 23648376
methyl (2S)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoate
CID 24901605
tert-butyl (2S)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoate
CID 24901606
2-(4-Fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 3244244
Acetic acid 1-(2-dimethylamino-ethyl)-4-(4-methoxy-phenyl)-7-methylcarbamoyloxy-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl ester
CID 14156335
2-(4-methoxyphenyl)-N-[3-methyl-1-[4-(trifluoromethoxy)anilino]butan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 44566088
4-{2-[(4-ethoxyphenyl)amino]-2-oxoethoxy}-N-(2-phenylethyl)benzamide
CID 1189596
[2-(4-Methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2100449

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 4882684) is [2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is CCNC(=O)COC(=O)C1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is IXKPYECWMPSXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-4-25-21(27)15-32-24(29)20-13-14-22(28)26(17-7-11-19(31-3)12-8-17)23(20)16-5-9-18(30-2)10-6-16/h5-12,20,23H,4,13-15H2,1-3H3,(H,25,27).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
[2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 4882684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).