(4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone

C18H21FN4O — CID 136557625

IUPAC(4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(CCc3cnccn3)CC2)ccc1F
InChIInChI=1S/C18H21FN4O/c1-14-12-15(2-3-17(14)19)18(24)23-10-8-22(9-11-23)7-4-16-13-20-5-6-21-16/h2-3,5-6,12-13H,4,7-11H2,1H3
InChIKeyAXYUXOZWOKZUNI-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.92
Rot. Bonds4

About (4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone

(4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 136557625) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone
PubChem CID136557625
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name(4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(CCc3cnccn3)CC2)ccc1F
InChIInChI=1S/C18H21FN4O/c1-14-12-15(2-3-17(14)19)18(24)23-10-8-22(9-11-23)7-4-16-13-20-5-6-21-16/h2-3,5-6,12-13H,4,7-11H2,1H3
InChIKeyAXYUXOZWOKZUNI-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-aminobutyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 63209284
2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetic acid
CID 63209941
methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate
CID 63213140
2-[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 56825777
[4-(2-bromoethyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 80660633
(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 86938426
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 47280720
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-1-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]ethanone
CID 154793551
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63213419
4-(4-fluoro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 64679893

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone (CID 136557625) is (4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(CCc3cnccn3)CC2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is AXYUXOZWOKZUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-14-12-15(2-3-17(14)19)18(24)23-10-8-22(9-11-23)7-4-16-13-20-5-6-21-16/h2-3,5-6,12-13H,4,7-11H2,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone?
(4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 328.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 136557625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).