(4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate

C24H24FN5O4 — CID 123487589

IUPAC(4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate
SMILESO=C(NCCC1CCN(c2cncc(-c3ccc(F)cc3)n2)CC1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H24FN5O4/c25-19-3-1-18(2-4-19)22-15-26-16-23(28-22)29-13-10-17(11-14-29)9-12-27-24(31)34-21-7-5-20(6-8-21)30(32)33/h1-8,15-17H,9-14H2,(H,27,31)
InChIKeyYAQNQBKLNQCMIU-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.59
Rot. Bonds7

About (4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate

(4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate (PubChem CID 123487589) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is (4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate
PubChem CID123487589
Molecular FormulaC24H24FN5O4
Molecular Weight465.49 g/mol
Exact Mass465.18
IUPAC Name(4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate
SMILESO=C(NCCC1CCN(c2cncc(-c3ccc(F)cc3)n2)CC1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H24FN5O4/c25-19-3-1-18(2-4-19)22-15-26-16-23(28-22)29-13-10-17(11-14-29)9-12-27-24(31)34-21-7-5-20(6-8-21)30(32)33/h1-8,15-17H,9-14H2,(H,27,31)
InChIKeyYAQNQBKLNQCMIU-UHFFFAOYSA-N
XLogP4.59
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of (4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate (CID 123487589) is (4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for (4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for (4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate is O=C(NCCC1CCN(c2cncc(-c3ccc(F)cc3)n2)CC1)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is YAQNQBKLNQCMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4/c25-19-3-1-18(2-4-19)22-15-26-16-23(28-22)29-13-10-17(11-14-29)9-12-27-24(31)34-21-7-5-20(6-8-21)30(32)33/h1-8,15-17H,9-14H2,(H,27,31).
What are the key properties of (4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate?
(4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 465.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-[2-[1-[6-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 123487589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).