N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide

C15H25N3OS — CID 43443283

IUPACN-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCCCN1CCNCC1
InChIInChI=1S/C15H25N3OS/c19-15(6-1-4-14-5-2-13-20-14)17-7-3-10-18-11-8-16-9-12-18/h2,5,13,16H,1,3-4,6-12H2,(H,17,19)
InChIKeyLMWJYTGQAYVTLK-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.48
Rot. Bonds8

About N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide

N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide (PubChem CID 43443283) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
PubChem CID43443283
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCCCN1CCNCC1
InChIInChI=1S/C15H25N3OS/c19-15(6-1-4-14-5-2-13-20-14)17-7-3-10-18-11-8-16-9-12-18/h2,5,13,16H,1,3-4,6-12H2,(H,17,19)
InChIKeyLMWJYTGQAYVTLK-UHFFFAOYSA-N
XLogP1.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
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)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805
4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394190
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
N-(3-piperazin-1-ylpropyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119390755
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392670
4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119390880
N-pent-4-ynyl-4-thiophen-2-ylbutanamide
CID 103708912
4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119394631
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide (CID 43443283) is N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NCCCN1CCNCC1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide?
The InChIKey is LMWJYTGQAYVTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c19-15(6-1-4-14-5-2-13-20-14)17-7-3-10-18-11-8-16-9-12-18/h2,5,13,16H,1,3-4,6-12H2,(H,17,19).
What are the key properties of N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide?
N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide has a molecular weight of 295.45 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 43443283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).