1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

C24H31N3O4 — CID 46444408

IUPAC1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C(C)N2CCC(C(=O)Nc3ccccc3OC)CC2)cc1
InChIInChI=1S/C24H31N3O4/c1-4-31-20-11-9-19(10-12-20)25-23(28)17(2)27-15-13-18(14-16-27)24(29)26-21-7-5-6-8-22(21)30-3/h5-12,17-18H,4,13-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeySVEIGRNTAQMDFN-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.77
Rot. Bonds8

About 1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 46444408) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID46444408
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C(C)N2CCC(C(=O)Nc3ccccc3OC)CC2)cc1
InChIInChI=1S/C24H31N3O4/c1-4-31-20-11-9-19(10-12-20)25-23(28)17(2)27-15-13-18(14-16-27)24(29)26-21-7-5-6-8-22(21)30-3/h5-12,17-18H,4,13-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeySVEIGRNTAQMDFN-UHFFFAOYSA-N
XLogP3.77
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489471
N-(2-hydroxyphenyl)-1-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489479
1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37178321
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906958
1-[1-(benzylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444393
methyl 1-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 41075173
N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide
CID 154750133
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
1-[(3-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43920258
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 46444408) is 1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is CCOc1ccc(NC(=O)C(C)N2CCC(C(=O)Nc3ccccc3OC)CC2)cc1.
What is the InChIKey of 1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is SVEIGRNTAQMDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-4-31-20-11-9-19(10-12-20)25-23(28)17(2)27-15-13-18(14-16-27)24(29)26-21-7-5-6-8-22(21)30-3/h5-12,17-18H,4,13-16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46444408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).