4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide

C25H34N2O3 — CID 118728423

IUPAC4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide
SMILESCCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C25H34N2O3/c1-4-20(5-2)18-25(29)11-13-27(14-12-25)24(28)26-21-15-19(3)16-23(17-21)30-22-9-7-6-8-10-22/h6-10,15-17,20,29H,4-5,11-14,18H2,1-3H3,(H,26,28)
InChIKeyFVTJRFZPRKUCDQ-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.97
Rot. Bonds7

About 4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide

4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide (PubChem CID 118728423) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide
PubChem CID118728423
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide
SMILESCCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C25H34N2O3/c1-4-20(5-2)18-25(29)11-13-27(14-12-25)24(28)26-21-15-19(3)16-23(17-21)30-22-9-7-6-8-10-22/h6-10,15-17,20,29H,4-5,11-14,18H2,1-3H3,(H,26,28)
InChIKeyFVTJRFZPRKUCDQ-UHFFFAOYSA-N
XLogP5.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23071856
1-(3-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014530
1-(M-Anisyl)-3-benzylurea
CID 2822865
3-(M-Anisyl)-1,1-dibenzylurea
CID 3411091
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-cyclohexyl]-3-(3-methoxy-phenyl)-urea
CID 9845853
1-{2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(3-methoxy-phenyl)-urea
CID 9868532
3-(4-Benzyl-piperidin-1-ylmethyl)-piperidine-1-carboxylic acid (3-methoxy-phenyl)-amide
CID 9888454
1-[3-(3-Benzyl-piperidin-1-yl)-propyl]-3-(3-methoxy-phenyl)-urea
CID 9951882
1-[3-(4-Benzyl-piperidin-1-yl)-propyl]-3-(3-methoxy-phenyl)-urea
CID 9951883
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-5-hydroxymethyl-phenyl]-3-(3-methoxy-phenyl)-urea
CID 10874195
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(3-methoxy-phenyl)-urea
CID 11026367
1-{2-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-phenyl}-3-(3-methoxy-phenyl)-urea
CID 11026634

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide (CID 118728423) is 4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide is CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide?
The InChIKey is FVTJRFZPRKUCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-4-20(5-2)18-25(29)11-13-27(14-12-25)24(28)26-21-15-19(3)16-23(17-21)30-22-9-7-6-8-10-22/h6-10,15-17,20,29H,4-5,11-14,18H2,1-3H3,(H,26,28).
What are the key properties of 4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide?
4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 118728423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).