N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide

C18H22N4O2S — CID 17412335

IUPACN'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)N2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C18H22N4O2S/c1-14-2-4-16(5-3-14)17(23)19-20-18(24)22-9-7-21(8-10-22)12-15-6-11-25-13-15/h2-6,11,13H,7-10,12H2,1H3,(H,19,23)(H,20,24)
InChIKeyQXMNYTUBVPCZPK-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.23
Rot. Bonds3

About N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide

N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide (PubChem CID 17412335) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide
PubChem CID17412335
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)N2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C18H22N4O2S/c1-14-2-4-16(5-3-14)17(23)19-20-18(24)22-9-7-21(8-10-22)12-15-6-11-25-13-15/h2-6,11,13H,7-10,12H2,1H3,(H,19,23)(H,20,24)
InChIKeyQXMNYTUBVPCZPK-UHFFFAOYSA-N
XLogP2.23
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 6733780
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
4-tert-butyl-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 9181013
(4-methylphenyl)-[4-[[(2S)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 92989700
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 3788667
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
(4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 24517457
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 9181732
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 30947583
4-(methylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-1-one
CID 54869917
1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 60786486
(5-hydroxy-3-pyridinyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63859905

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide (CID 17412335) is N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide is Cc1ccc(C(=O)NNC(=O)N2CCN(Cc3ccsc3)CC2)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide?
The InChIKey is QXMNYTUBVPCZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-14-2-4-16(5-3-14)17(23)19-20-18(24)22-9-7-21(8-10-22)12-15-6-11-25-13-15/h2-6,11,13H,7-10,12H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide?
N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide has a molecular weight of 358.47 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide is sourced from PubChem (CID 17412335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).