(2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C17H18FN3O2 — CID 70317774

IUPAC(2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cccnc3F)CC2)c1
InChIInChI=1S/C17H18FN3O2/c1-23-14-5-2-4-13(12-14)20-8-10-21(11-9-20)17(22)15-6-3-7-19-16(15)18/h2-7,12H,8-11H2,1H3
InChIKeyKPKLCVIWALYEOJ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.19
Rot. Bonds3

About (2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

(2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 70317774) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID70317774
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cccnc3F)CC2)c1
InChIInChI=1S/C17H18FN3O2/c1-23-14-5-2-4-13(12-14)20-8-10-21(11-9-20)17(22)15-6-3-7-19-16(15)18/h2-7,12H,8-11H2,1H3
InChIKeyKPKLCVIWALYEOJ-UHFFFAOYSA-N
XLogP2.19
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 70317774) is (2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cccnc3F)CC2)c1.
What is the InChIKey of (2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is KPKLCVIWALYEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-23-14-5-2-4-13(12-14)20-8-10-21(11-9-20)17(22)15-6-3-7-19-16(15)18/h2-7,12H,8-11H2,1H3.
What are the key properties of (2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 315.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70317774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).