phenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate

C24H25FN4O2 — CID 3240770

IUPACphenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate
SMILESO=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)Oc1ccccc1
InChIInChI=1S/C24H25FN4O2/c25-21-10-4-5-11-22(21)28-13-15-29(16-14-28)23(19-7-6-12-26-17-19)18-27-24(30)31-20-8-2-1-3-9-20/h1-12,17,23H,13-16,18H2,(H,27,30)
InChIKeyHHRYZIZSPFIOOJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.87
Rot. Bonds6

About phenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate

phenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate (PubChem CID 3240770) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is phenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate
PubChem CID3240770
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Namephenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate
SMILESO=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)Oc1ccccc1
InChIInChI=1S/C24H25FN4O2/c25-21-10-4-5-11-22(21)28-13-15-29(16-14-28)23(19-7-6-12-26-17-19)18-27-24(30)31-20-8-2-1-3-9-20/h1-12,17,23H,13-16,18H2,(H,27,30)
InChIKeyHHRYZIZSPFIOOJ-UHFFFAOYSA-N
XLogP3.87
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate?
The IUPAC name of phenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate (CID 3240770) is phenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate?
The canonical SMILES for phenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate is O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate?
The InChIKey is HHRYZIZSPFIOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c25-21-10-4-5-11-22(21)28-13-15-29(16-14-28)23(19-7-6-12-26-17-19)18-27-24(30)31-20-8-2-1-3-9-20/h1-12,17,23H,13-16,18H2,(H,27,30).
What are the key properties of phenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate?
phenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate has a molecular weight of 420.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate is sourced from PubChem (CID 3240770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).