2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide

C16H25N3OS — CID 142795808

IUPAC2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide
SMILESCN1CCN(CCC/C=C\Cc2sccc2C(N)=O)CC1
InChIInChI=1S/C16H25N3OS/c1-18-9-11-19(12-10-18)8-5-3-2-4-6-15-14(16(17)20)7-13-21-15/h2,4,7,13H,3,5-6,8-12H2,1H3,(H2,17,20)/b4-2-
InChIKeyHGWBPBHYMKBKIR-RQOWECAXSA-N
MW307.46 g/mol
LogP1.97
Rot. Bonds7

About 2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide

2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide (PubChem CID 142795808) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide
PubChem CID142795808
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide
SMILESCN1CCN(CCC/C=C\Cc2sccc2C(N)=O)CC1
InChIInChI=1S/C16H25N3OS/c1-18-9-11-19(12-10-18)8-5-3-2-4-6-15-14(16(17)20)7-13-21-15/h2,4,7,13H,3,5-6,8-12H2,1H3,(H2,17,20)/b4-2-
InChIKeyHGWBPBHYMKBKIR-RQOWECAXSA-N
XLogP1.97
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide?
The IUPAC name of 2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide (CID 142795808) is 2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide?
The canonical SMILES for 2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide is CN1CCN(CCC/C=C\Cc2sccc2C(N)=O)CC1.
What is the InChIKey of 2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide?
The InChIKey is HGWBPBHYMKBKIR-RQOWECAXSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-18-9-11-19(12-10-18)8-5-3-2-4-6-15-14(16(17)20)7-13-21-15/h2,4,7,13H,3,5-6,8-12H2,1H3,(H2,17,20)/b4-2-.
What are the key properties of 2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide?
2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide is sourced from PubChem (CID 142795808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).