[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate

C23H30FN3O4 — CID 86577810

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate
SMILESCCCOc1ccc(NC(=O)OCC(O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H30FN3O4/c1-2-15-30-22-9-5-19(6-10-22)25-23(29)31-17-21(28)16-26-11-13-27(14-12-26)20-7-3-18(24)4-8-20/h3-10,21,28H,2,11-17H2,1H3,(H,25,29)
InChIKeyYDRGJQZXTKITGE-UHFFFAOYSA-N
MW431.51 g/mol
LogP3.35
Rot. Bonds9

About [3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate

[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate (PubChem CID 86577810) has the molecular formula C23H30FN3O4 and a molecular weight of 431.51 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate
PubChem CID86577810
Molecular FormulaC23H30FN3O4
Molecular Weight431.51 g/mol
Exact Mass431.22
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate
SMILESCCCOc1ccc(NC(=O)OCC(O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H30FN3O4/c1-2-15-30-22-9-5-19(6-10-22)25-23(29)31-17-21(28)16-26-11-13-27(14-12-26)20-7-3-18(24)4-8-20/h3-10,21,28H,2,11-17H2,1H3,(H,25,29)
InChIKeyYDRGJQZXTKITGE-UHFFFAOYSA-N
XLogP3.35
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[4-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
CID 102504728
1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 3667051
[4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea
CID 67249537
1-[4-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 87013325
(2S)-1-(4-bromophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 34066082
(2R)-1-[2-(3,4-dimethylphenoxy)ethoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 7195398
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
(2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride
CID 24836360
[4-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 2147530
1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
CID 21236715
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 66549917
butyl N-[4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]carbamate
CID 10392895

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate (CID 86577810) is [3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate is CCCOc1ccc(NC(=O)OCC(O)CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate?
The InChIKey is YDRGJQZXTKITGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O4/c1-2-15-30-22-9-5-19(6-10-22)25-23(29)31-17-21(28)16-26-11-13-27(14-12-26)20-7-3-18(24)4-8-20/h3-10,21,28H,2,11-17H2,1H3,(H,25,29).
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate?
[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate has a molecular weight of 431.51 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate is sourced from PubChem (CID 86577810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).