4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide

C26H34F2N2O4 — CID 155317251

IUPAC4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESCCC(CC)CC1(O)CCN(C(=O)Nc2cc(OCCF)cc(Oc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C26H34F2N2O4/c1-3-19(4-2)18-26(32)9-12-30(13-10-26)25(31)29-21-15-23(33-14-11-27)17-24(16-21)34-22-7-5-20(28)6-8-22/h5-8,15-17,19,32H,3-4,9-14,18H2,1-2H3,(H,29,31)
InChIKeyKYQKQOSWWGMSKF-UHFFFAOYSA-N
MW476.56 g/mol
LogP6.15
Rot. Bonds10

About 4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide

4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 155317251) has the molecular formula C26H34F2N2O4 and a molecular weight of 476.56 g/mol. Its IUPAC name is 4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID155317251
Molecular FormulaC26H34F2N2O4
Molecular Weight476.56 g/mol
Exact Mass476.25
IUPAC Name4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESCCC(CC)CC1(O)CCN(C(=O)Nc2cc(OCCF)cc(Oc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C26H34F2N2O4/c1-3-19(4-2)18-26(32)9-12-30(13-10-26)25(31)29-21-15-23(33-14-11-27)17-24(16-21)34-22-7-5-20(28)6-8-22/h5-8,15-17,19,32H,3-4,9-14,18H2,1-2H3,(H,29,31)
InChIKeyKYQKQOSWWGMSKF-UHFFFAOYSA-N
XLogP6.15
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide (CID 155317251) is 4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide is CCC(CC)CC1(O)CCN(C(=O)Nc2cc(OCCF)cc(Oc3ccc(F)cc3)c2)CC1.
What is the InChIKey of 4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is KYQKQOSWWGMSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N2O4/c1-3-19(4-2)18-26(32)9-12-30(13-10-26)25(31)29-21-15-23(33-14-11-27)17-24(16-21)34-22-7-5-20(28)6-8-22/h5-8,15-17,19,32H,3-4,9-14,18H2,1-2H3,(H,29,31).
What are the key properties of 4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide?
4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 6.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutyl)-N-[3-(2-fluoroethoxy)-5-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 155317251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).