N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide

C15H24N4O2S — CID 119446128

IUPACN-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)NCCN1CCNCC1
InChIInChI=1S/C15H24N4O2S/c20-14(17-7-10-19-8-5-16-6-9-19)2-1-4-18-15(21)13-3-11-22-12-13/h3,11-12,16H,1-2,4-10H2,(H,17,20)(H,18,21)
InChIKeyKFOIALATFHLOBV-UHFFFAOYSA-N
MW324.45 g/mol
LogP0.28
Rot. Bonds8

About N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide

N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide (PubChem CID 119446128) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide
PubChem CID119446128
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)NCCN1CCNCC1
InChIInChI=1S/C15H24N4O2S/c20-14(17-7-10-19-8-5-16-6-9-19)2-1-4-18-15(21)13-3-11-22-12-13/h3,11-12,16H,1-2,4-10H2,(H,17,20)(H,18,21)
InChIKeyKFOIALATFHLOBV-UHFFFAOYSA-N
XLogP0.28
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 35417013
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 119402669
N-[4-oxo-4-[3-(2-oxoazepan-1-yl)propylamino]butyl]thiophene-3-carboxamide
CID 99171268
N-(3-piperazin-1-ylpropyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119390755
N-[4-oxo-4-(2-phenylethylamino)butyl]thiophene-3-carboxamide
CID 18108696
N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 111429071
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 27256783
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
CID 119446636
N-[3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 38440723

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide (CID 119446128) is N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide is O=C(CCCNC(=O)c1ccsc1)NCCN1CCNCC1.
What is the InChIKey of N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide?
The InChIKey is KFOIALATFHLOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c20-14(17-7-10-19-8-5-16-6-9-19)2-1-4-18-15(21)13-3-11-22-12-13/h3,11-12,16H,1-2,4-10H2,(H,17,20)(H,18,21).
What are the key properties of N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide?
N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide is sourced from PubChem (CID 119446128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).