benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate

C24H26FN3O3 — CID 12005905

IUPACbenzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccccc2F)CC1)OCc1ccccc1
InChIInChI=1S/C24H26FN3O3/c25-20-9-4-5-10-21(20)27-12-14-28(15-13-27)22(23-11-6-16-30-23)17-26-24(29)31-18-19-7-2-1-3-8-19/h1-11,16,22H,12-15,17-18H2,(H,26,29)
InChIKeyQMSFCVFHROHKBD-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.21
Rot. Bonds7

About benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate

benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate (PubChem CID 12005905) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate
PubChem CID12005905
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Namebenzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccccc2F)CC1)OCc1ccccc1
InChIInChI=1S/C24H26FN3O3/c25-20-9-4-5-10-21(20)27-12-14-28(15-13-27)22(23-11-6-16-30-23)17-26-24(29)31-18-19-7-2-1-3-8-19/h1-11,16,22H,12-15,17-18H2,(H,26,29)
InChIKeyQMSFCVFHROHKBD-UHFFFAOYSA-N
XLogP4.21
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate (CID 12005905) is benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate is O=C(NCC(c1ccco1)N1CCN(c2ccccc2F)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate?
The InChIKey is QMSFCVFHROHKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c25-20-9-4-5-10-21(20)27-12-14-28(15-13-27)22(23-11-6-16-30-23)17-26-24(29)31-18-19-7-2-1-3-8-19/h1-11,16,22H,12-15,17-18H2,(H,26,29).
What are the key properties of benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate?
benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate has a molecular weight of 423.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]carbamate is sourced from PubChem (CID 12005905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).