4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide

C17H20N4O3S — CID 17394875

IUPAC4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
SMILESCOc1ccc(N2CCN(C(=O)NNC(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H20N4O3S/c1-24-14-6-4-13(5-7-14)20-8-10-21(11-9-20)17(23)19-18-16(22)15-3-2-12-25-15/h2-7,12H,8-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyRTFOAEOKPKDJPV-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.93
Rot. Bonds3

About 4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide

4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide (PubChem CID 17394875) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
PubChem CID17394875
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
SMILESCOc1ccc(N2CCN(C(=O)NNC(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H20N4O3S/c1-24-14-6-4-13(5-7-14)20-8-10-21(11-9-20)17(23)19-18-16(22)15-3-2-12-25-15/h2-7,12H,8-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyRTFOAEOKPKDJPV-UHFFFAOYSA-N
XLogP1.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 18104395
N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 51180374
N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
CID 18144093
4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 110866159
N-[2-chloro-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956560
4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
CID 17428053
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4942927
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 7163049
2-methoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 2237237
(3-chlorothiophen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110856426
N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
CID 112502848

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide?
The IUPAC name of 4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide (CID 17394875) is 4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide?
The canonical SMILES for 4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide is COc1ccc(N2CCN(C(=O)NNC(=O)c3cccs3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide?
The InChIKey is RTFOAEOKPKDJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-24-14-6-4-13(5-7-14)20-8-10-21(11-9-20)17(23)19-18-16(22)15-3-2-12-25-15/h2-7,12H,8-11H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide?
4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide has a molecular weight of 360.44 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide is sourced from PubChem (CID 17394875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).