4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide

C25H34N2O4 — CID 23071884

IUPAC4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide
SMILESCCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3OC)c2)CC1
InChIInChI=1S/C25H34N2O4/c1-4-19(5-2)18-25(29)13-15-27(16-14-25)24(28)26-20-9-8-10-21(17-20)31-23-12-7-6-11-22(23)30-3/h6-12,17,19,29H,4-5,13-16,18H2,1-3H3,(H,26,28)
InChIKeyXZTHVJRBPXICES-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.67
Rot. Bonds8

About 4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide

4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide (PubChem CID 23071884) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide
PubChem CID23071884
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide
SMILESCCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3OC)c2)CC1
InChIInChI=1S/C25H34N2O4/c1-4-19(5-2)18-25(29)13-15-27(16-14-25)24(28)26-20-9-8-10-21(17-20)31-23-12-7-6-11-22(23)30-3/h6-12,17,19,29H,4-5,13-16,18H2,1-3H3,(H,26,28)
InChIKeyXZTHVJRBPXICES-UHFFFAOYSA-N
XLogP5.67
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylbutyl)-N-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypiperidine-1-carboxamide
CID 91826297
N-[3-chloro-5-(4-fluorophenoxy)phenyl]-4-(2-ethylbutyl)-4-hydroxypiperidine-1-carboxamide
CID 118728426
(4R)-4-[(dimethylamino)methyl]-4-hydroxy-N-(3-methoxyphenyl)azepane-1-carboxamide
CID 95723564
4-(2-ethylbutyl)-N-[3-[[4-(2-ethylbutyl)-4-hydroxypiperidine-1-carbonyl]amino]-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 155322897
N-(3-methoxyphenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304682
4-cyclopropyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071756
4-cyclopentyl-4-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 23071820
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122335422
4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 111424875
4-cyclohexyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071773
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide
CID 23071817

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide (CID 23071884) is 4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide is CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3OC)c2)CC1.
What is the InChIKey of 4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is XZTHVJRBPXICES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-4-19(5-2)18-25(29)13-15-27(16-14-25)24(28)26-20-9-8-10-21(17-20)31-23-12-7-6-11-22(23)30-3/h6-12,17,19,29H,4-5,13-16,18H2,1-3H3,(H,26,28).
What are the key properties of 4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide?
4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methoxyphenoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 23071884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).