1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide

C20H24N3O2S+ — CID 6987129

IUPAC1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide
SMILESO=C(NNC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C20H23N3O2S/c24-19(21-22-20(25)18-9-5-15-26-18)17-10-13-23(14-11-17)12-4-8-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2,(H,21,24)(H,22,25)/p+1/b8-4+
InChIKeyRVSAQQILTYLTLO-XBXARRHUSA-O
MW370.50 g/mol
LogP1.52
Rot. Bonds5

About 1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide

1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide (PubChem CID 6987129) has the molecular formula C20H24N3O2S+ and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide
PubChem CID6987129
Molecular FormulaC20H24N3O2S+
Molecular Weight370.50 g/mol
Exact Mass370.16
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide
SMILESO=C(NNC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C20H23N3O2S/c24-19(21-22-20(25)18-9-5-15-26-18)17-10-13-23(14-11-17)12-4-8-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2,(H,21,24)(H,22,25)/p+1/b8-4+
InChIKeyRVSAQQILTYLTLO-XBXARRHUSA-O
XLogP1.52
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9035713
trans-(1R,2R)-2-[(thiophene-2-carbonylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 6544086
N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide
CID 691734
N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide
CID 4507493
N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide
CID 3564830
1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanone
CID 8544704
[(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate
CID 43027103
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
(1-methylsulfonylpiperidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone
CID 7248366
1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid
CID 43441254
(4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone chloride
CID 18531800
N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 60674119

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide (CID 6987129) is 1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide is O=C(NNC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1)c1cccs1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide?
The InChIKey is RVSAQQILTYLTLO-XBXARRHUSA-O. The full InChI is InChI=1S/C20H23N3O2S/c24-19(21-22-20(25)18-9-5-15-26-18)17-10-13-23(14-11-17)12-4-8-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2,(H,21,24)(H,22,25)/p+1/b8-4+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide?
1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide has a molecular weight of 370.50 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-N'-(thiophene-2-carbonyl)piperidin-1-ium-4-carbohydrazide is sourced from PubChem (CID 6987129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).