N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide

C14H24N4OS — CID 77012125

IUPACN'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H24N4OS/c1-2-3-13(14(15)16-19)18-7-5-17(6-8-18)10-12-4-9-20-11-12/h4,9,11,13,19H,2-3,5-8,10H2,1H3,(H2,15,16)
InChIKeyKZOSRNDXTXOQCJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.78
Rot. Bonds6

About N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide

N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide (PubChem CID 77012125) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide
PubChem CID77012125
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H24N4OS/c1-2-3-13(14(15)16-19)18-7-5-17(6-8-18)10-12-4-9-20-11-12/h4,9,11,13,19H,2-3,5-8,10H2,1H3,(H2,15,16)
InChIKeyKZOSRNDXTXOQCJ-UHFFFAOYSA-N
XLogP1.78
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperazin-1-yl)pentanethioamide
CID 63341589
N'-hydroxy-4-methylsulfanyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide
CID 77108644
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012521
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pentanethioamide
CID 63341675
2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 60937727
2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 104776692
1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine
CID 770650
N'-hydroxy-2-(4-pyrazin-2-ylpiperazin-1-yl)pentanimidamide
CID 77012355
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)pentanamide
CID 76924821
2-(4-benzylpiperazin-1-yl)pentanehydrazide
CID 83052064

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide (CID 77012125) is N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide is CCCC(C(N)=NO)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide?
The InChIKey is KZOSRNDXTXOQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-2-3-13(14(15)16-19)18-7-5-17(6-8-18)10-12-4-9-20-11-12/h4,9,11,13,19H,2-3,5-8,10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide?
N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide has a molecular weight of 296.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide is sourced from PubChem (CID 77012125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).