4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide

C26H34N4O5 — CID 25163200

IUPAC4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1OCC
InChIInChI=1S/C26H34N4O5/c1-4-34-22-12-11-21(17-23(22)35-5-2)27-24(31)18-29(3)25(32)19-13-15-30(16-14-19)26(33)28-20-9-7-6-8-10-20/h6-12,17,19H,4-5,13-16,18H2,1-3H3,(H,27,31)(H,28,33)
InChIKeyCQRCCOSUJLJXQW-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.83
Rot. Bonds9

About 4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 25163200) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID25163200
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1OCC
InChIInChI=1S/C26H34N4O5/c1-4-34-22-12-11-21(17-23(22)35-5-2)27-24(31)18-29(3)25(32)19-13-15-30(16-14-19)26(33)28-20-9-7-6-8-10-20/h6-12,17,19H,4-5,13-16,18H2,1-3H3,(H,27,31)(H,28,33)
InChIKeyCQRCCOSUJLJXQW-UHFFFAOYSA-N
XLogP3.83
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9438322
(3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51870658
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 25162519
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122074199
1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122079089
N-(2-anilino-2-oxoethyl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 46425050
N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 46822995
(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658568
N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide
CID 46634722
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719168
2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2475779
(E)-3-(2-chlorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9438905

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide (CID 25163200) is 4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide is CCOc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1OCC.
What is the InChIKey of 4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is CQRCCOSUJLJXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-4-34-22-12-11-21(17-23(22)35-5-2)27-24(31)18-29(3)25(32)19-13-15-30(16-14-19)26(33)28-20-9-7-6-8-10-20/h6-12,17,19H,4-5,13-16,18H2,1-3H3,(H,27,31)(H,28,33).
What are the key properties of 4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 482.58 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 25163200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).