N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide

C18H22FN3OS — CID 42224892

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cccs1
InChIInChI=1S/C18H22FN3OS/c19-15-4-6-16(7-5-15)22-12-10-21(11-13-22)9-2-8-20-18(23)17-3-1-14-24-17/h1,3-7,14H,2,8-13H2,(H,20,23)
InChIKeyFSCKBTCIQDNJNO-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.83
Rot. Bonds6

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide (PubChem CID 42224892) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
PubChem CID42224892
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cccs1
InChIInChI=1S/C18H22FN3OS/c19-15-4-6-16(7-5-15)22-12-10-21(11-13-22)9-2-8-20-18(23)17-3-1-14-24-17/h1,3-7,14H,2,8-13H2,(H,20,23)
InChIKeyFSCKBTCIQDNJNO-UHFFFAOYSA-N
XLogP2.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 71293871
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-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
CID 42389425
4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 110866159
4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805
N'-cyclopropyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390559
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide (CID 42224892) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide is O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cccs1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide?
The InChIKey is FSCKBTCIQDNJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c19-15-4-6-16(7-5-15)22-12-10-21(11-13-22)9-2-8-20-18(23)17-3-1-14-24-17/h1,3-7,14H,2,8-13H2,(H,20,23).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 42224892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).