4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one

C19H21ClFN3O — CID 155563452

IUPAC4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21ClFN3O/c20-16-5-8-19(22-14-16)24-12-10-23(11-13-24)9-1-2-18(25)15-3-6-17(21)7-4-15/h3-8,14H,1-2,9-13H2
InChIKeyMXKZBMGRCYCKSV-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.66
Rot. Bonds6

About 4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one

4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one (PubChem CID 155563452) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
PubChem CID155563452
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21ClFN3O/c20-16-5-8-19(22-14-16)24-12-10-23(11-13-24)9-1-2-18(25)15-3-6-17(21)7-4-15/h3-8,14H,1-2,9-13H2
InChIKeyMXKZBMGRCYCKSV-UHFFFAOYSA-N
XLogP3.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one (CID 155563452) is 4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one is O=C(CCCN1CCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The InChIKey is MXKZBMGRCYCKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-16-5-8-19(22-14-16)24-12-10-23(11-13-24)9-1-2-18(25)15-3-6-17(21)7-4-15/h3-8,14H,1-2,9-13H2.
What are the key properties of 4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one?
4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one has a molecular weight of 361.85 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 155563452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).