N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide

C18H23FN4OS — CID 71293871

IUPACN-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(F)n2)CC1)c1cccs1
InChIInChI=1S/C18H23FN4OS/c19-16-6-3-7-17(21-16)23-12-10-22(11-13-23)9-2-1-8-20-18(24)15-5-4-14-25-15/h3-7,14H,1-2,8-13H2,(H,20,24)
InChIKeyYWGXORNLLUUDRS-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.61
Rot. Bonds7

About N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide

N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide (PubChem CID 71293871) has the molecular formula C18H23FN4OS and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
PubChem CID71293871
Molecular FormulaC18H23FN4OS
Molecular Weight362.47 g/mol
Exact Mass362.16
IUPAC NameN-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(F)n2)CC1)c1cccs1
InChIInChI=1S/C18H23FN4OS/c19-16-6-3-7-17(21-16)23-12-10-22(11-13-23)9-2-1-8-20-18(24)15-5-4-14-25-15/h3-7,14H,1-2,8-13H2,(H,20,24)
InChIKeyYWGXORNLLUUDRS-UHFFFAOYSA-N
XLogP2.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 42224892
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783
N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 139080265
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 2952427
N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide
CID 55933196
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide
CID 42438637
N-[4-oxo-4-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]butyl]thiophene-2-carboxamide
CID 86968886
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84574058

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide (CID 71293871) is N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide is O=C(NCCCCN1CCN(c2cccc(F)n2)CC1)c1cccs1.
What is the InChIKey of N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide?
The InChIKey is YWGXORNLLUUDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4OS/c19-16-6-3-7-17(21-16)23-12-10-22(11-13-23)9-2-1-8-20-18(24)15-5-4-14-25-15/h3-7,14H,1-2,8-13H2,(H,20,24).
What are the key properties of N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide?
N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide is sourced from PubChem (CID 71293871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).