(4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone

C17H27FN6O — CID 75584275

IUPAC(4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone
SMILESCCCCN1CCN(C(=O)C2NNNC2Nc2ccccc2F)CC1
InChIInChI=1S/C17H27FN6O/c1-2-3-8-23-9-11-24(12-10-23)17(25)15-16(21-22-20-15)19-14-7-5-4-6-13(14)18/h4-7,15-16,19-22H,2-3,8-12H2,1H3
InChIKeyMSEGNYLUJHUDHU-UHFFFAOYSA-N
MW350.44 g/mol
LogP0.49
Rot. Bonds6

About (4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone

(4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone (PubChem CID 75584275) has the molecular formula C17H27FN6O and a molecular weight of 350.44 g/mol. Its IUPAC name is (4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone.

Molecular Properties

Compound Name(4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone
PubChem CID75584275
Molecular FormulaC17H27FN6O
Molecular Weight350.44 g/mol
Exact Mass350.22
IUPAC Name(4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone
SMILESCCCCN1CCN(C(=O)C2NNNC2Nc2ccccc2F)CC1
InChIInChI=1S/C17H27FN6O/c1-2-3-8-23-9-11-24(12-10-23)17(25)15-16(21-22-20-15)19-14-7-5-4-6-13(14)18/h4-7,15-16,19-22H,2-3,8-12H2,1H3
InChIKeyMSEGNYLUJHUDHU-UHFFFAOYSA-N
XLogP0.49
TPSA71.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-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

[5-(2-fluoroanilino)triazolidin-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 75584274
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 113072774
[5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 75584224
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591
4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol
CID 111496659
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide
CID 75584069
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 75614297
N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 56806714
N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110111

Frequently Asked Questions

What is the IUPAC name of (4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone?
The IUPAC name of (4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone (CID 75584275) is (4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone.
What is the SMILES notation for (4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone?
The canonical SMILES for (4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone is CCCCN1CCN(C(=O)C2NNNC2Nc2ccccc2F)CC1.
What is the InChIKey of (4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone?
The InChIKey is MSEGNYLUJHUDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN6O/c1-2-3-8-23-9-11-24(12-10-23)17(25)15-16(21-22-20-15)19-14-7-5-4-6-13(14)18/h4-7,15-16,19-22H,2-3,8-12H2,1H3.
What are the key properties of (4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone?
(4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone has a molecular weight of 350.44 g/mol, XLogP of 0.49, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylpiperazin-1-yl)-[5-(2-fluoroanilino)triazolidin-4-yl]methanone is sourced from PubChem (CID 75584275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).