[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone

C16H17FN4O — CID 143096143

IUPAC[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESNc1ccc(N2CCN(C(=O)c3cccnc3)CC2)c(F)c1
InChIInChI=1S/C16H17FN4O/c17-14-10-13(18)3-4-15(14)20-6-8-21(9-7-20)16(22)12-2-1-5-19-11-12/h1-5,10-11H,6-9,18H2
InChIKeyISCHMUJHAGLBAS-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.77
Rot. Bonds2

About [4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 143096143) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is [4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID143096143
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESNc1ccc(N2CCN(C(=O)c3cccnc3)CC2)c(F)c1
InChIInChI=1S/C16H17FN4O/c17-14-10-13(18)3-4-15(14)20-6-8-21(9-7-20)16(22)12-2-1-5-19-11-12/h1-5,10-11H,6-9,18H2
InChIKeyISCHMUJHAGLBAS-UHFFFAOYSA-N
XLogP1.77
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone 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-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
1-[4-[4-(3-aminobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836988
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 133359772
(3,4-difluorophenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798837
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 43461900
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[4-(4-amino-2-chlorophenyl)piperazin-1-yl]-phenylmethanone
CID 805199
[4-(2-methylphenyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 70731187
(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone
CID 82299169
[4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 82331752
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 143096143) is [4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone is Nc1ccc(N2CCN(C(=O)c3cccnc3)CC2)c(F)c1.
What is the InChIKey of [4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is ISCHMUJHAGLBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-14-10-13(18)3-4-15(14)20-6-8-21(9-7-20)16(22)12-2-1-5-19-11-12/h1-5,10-11H,6-9,18H2.
What are the key properties of [4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 300.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 143096143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).