3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide

C23H29N3O4 — CID 163176741

IUPAC3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2cccc(OC)c2)CCC1CC(=O)Nc1cccc(O)c1
InChIInChI=1S/C23H29N3O4/c1-3-16-15-26(23(29)25-19-7-5-9-21(14-19)30-2)11-10-17(16)12-22(28)24-18-6-4-8-20(27)13-18/h4-9,13-14,16-17,27H,3,10-12,15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyXOAGZOZYQXXAAQ-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.31
Rot. Bonds6

About 3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide

3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 163176741) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
PubChem CID163176741
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2cccc(OC)c2)CCC1CC(=O)Nc1cccc(O)c1
InChIInChI=1S/C23H29N3O4/c1-3-16-15-26(23(29)25-19-7-5-9-21(14-19)30-2)11-10-17(16)12-22(28)24-18-6-4-8-20(27)13-18/h4-9,13-14,16-17,27H,3,10-12,15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyXOAGZOZYQXXAAQ-UHFFFAOYSA-N
XLogP4.31
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide
CID 73149093
3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 73139411
(3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 162806830
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95139124
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
(3S,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162904175
4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 73139265

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide (CID 163176741) is 3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide is CCC1CN(C(=O)Nc2cccc(OC)c2)CCC1CC(=O)Nc1cccc(O)c1.
What is the InChIKey of 3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is XOAGZOZYQXXAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-16-15-26(23(29)25-19-7-5-9-21(14-19)30-2)11-10-17(16)12-22(28)24-18-6-4-8-20(27)13-18/h4-9,13-14,16-17,27H,3,10-12,15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 163176741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).