N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide

C24H30FN3O3 — CID 22390748

IUPACN-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide
SMILESO=C(NCCN1CCC(CCOc2ccc(F)cc2)CC1)N1CCc2cc(O)ccc21
InChIInChI=1S/C24H30FN3O3/c25-20-1-4-22(5-2-20)31-16-10-18-7-12-27(13-8-18)15-11-26-24(30)28-14-9-19-17-21(29)3-6-23(19)28/h1-6,17-18,29H,7-16H2,(H,26,30)
InChIKeyDZNCQDPRZSGHJO-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.78
Rot. Bonds7

About N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide

N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide (PubChem CID 22390748) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide
PubChem CID22390748
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC NameN-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide
SMILESO=C(NCCN1CCC(CCOc2ccc(F)cc2)CC1)N1CCc2cc(O)ccc21
InChIInChI=1S/C24H30FN3O3/c25-20-1-4-22(5-2-20)31-16-10-18-7-12-27(13-8-18)15-11-26-24(30)28-14-9-19-17-21(29)3-6-23(19)28/h1-6,17-18,29H,7-16H2,(H,26,30)
InChIKeyDZNCQDPRZSGHJO-UHFFFAOYSA-N
XLogP3.78
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide (CID 22390748) is N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide is O=C(NCCN1CCC(CCOc2ccc(F)cc2)CC1)N1CCc2cc(O)ccc21.
What is the InChIKey of N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide?
The InChIKey is DZNCQDPRZSGHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c25-20-1-4-22(5-2-20)31-16-10-18-7-12-27(13-8-18)15-11-26-24(30)28-14-9-19-17-21(29)3-6-23(19)28/h1-6,17-18,29H,7-16H2,(H,26,30).
What are the key properties of N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide?
N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-5-hydroxy-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 22390748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).