2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide

C16H31N3O2S — CID 170127748

IUPAC2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide
SMILESCC(C)CCCC1CCN(C(=O)CSC(C)C(=O)NN)CC1
InChIInChI=1S/C16H31N3O2S/c1-12(2)5-4-6-14-7-9-19(10-8-14)15(20)11-22-13(3)16(21)18-17/h12-14H,4-11,17H2,1-3H3,(H,18,21)
InChIKeyATTPJZQMRXPYQC-UHFFFAOYSA-N
MW329.51 g/mol
LogP2.16
Rot. Bonds8

About 2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide

2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide (PubChem CID 170127748) has the molecular formula C16H31N3O2S and a molecular weight of 329.51 g/mol. Its IUPAC name is 2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide.

Molecular Properties

Compound Name2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide
PubChem CID170127748
Molecular FormulaC16H31N3O2S
Molecular Weight329.51 g/mol
Exact Mass329.21
IUPAC Name2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide
SMILESCC(C)CCCC1CCN(C(=O)CSC(C)C(=O)NN)CC1
InChIInChI=1S/C16H31N3O2S/c1-12(2)5-4-6-14-7-9-19(10-8-14)15(20)11-22-13(3)16(21)18-17/h12-14H,4-11,17H2,1-3H3,(H,18,21)
InChIKeyATTPJZQMRXPYQC-UHFFFAOYSA-N
XLogP2.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
CID 166753074
1-[4-[3-(methylamino)propyl]piperidin-1-yl]ethanone
CID 166684108
2-methyl-3-(methylamino)-1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
CID 119822280
1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 107760970
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylbutylsulfanyl)ethanone
CID 119647236
6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one
CID 164535566
4-(hydroxymethyl)-N-(6-methylheptan-2-yl)piperidine-1-carboxamide
CID 110894480
4-[3-(methylamino)propyl]piperidine-1-carboxylic acid
CID 154017805
4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122022214
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
[4-(5-methylhexyl)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanone
CID 171093271
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide?
The IUPAC name of 2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide (CID 170127748) is 2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide.
What is the SMILES notation for 2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide?
The canonical SMILES for 2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide is CC(C)CCCC1CCN(C(=O)CSC(C)C(=O)NN)CC1.
What is the InChIKey of 2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide?
The InChIKey is ATTPJZQMRXPYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2S/c1-12(2)5-4-6-14-7-9-19(10-8-14)15(20)11-22-13(3)16(21)18-17/h12-14H,4-11,17H2,1-3H3,(H,18,21).
What are the key properties of 2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide?
2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide has a molecular weight of 329.51 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methylpentyl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanehydrazide is sourced from PubChem (CID 170127748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).