1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide

C11H21N3O3S — CID 66128765

IUPAC1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)CSCCCO)CC1
InChIInChI=1S/C11H21N3O3S/c12-13-11(17)9-2-4-14(5-3-9)10(16)8-18-7-1-6-15/h9,15H,1-8,12H2,(H,13,17)
InChIKeyUFCCNPYVWFITBL-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.67
Rot. Bonds6

About 1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide

1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide (PubChem CID 66128765) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide
PubChem CID66128765
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)CSCCCO)CC1
InChIInChI=1S/C11H21N3O3S/c12-13-11(17)9-2-4-14(5-3-9)10(16)8-18-7-1-6-15/h9,15H,1-8,12H2,(H,13,17)
InChIKeyUFCCNPYVWFITBL-UHFFFAOYSA-N
XLogP-0.67
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66218506
1-(azepan-1-yl)-2-(3-hydroxypropylsulfanyl)ethanone
CID 66114073
1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66231444
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 107760970
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
1-[2-[2-hydroxyethyl(methyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63573012
1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidin-4-one
CID 66127240
1-(2-butylsulfanylacetyl)piperidine-4-carboxylic acid
CID 43092584
1-[2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetyl]piperidine-4-carboxylic acid
CID 106305639
1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578248
1-[2-[3-(hydroxymethyl)piperidin-1-yl]acetyl]piperidine-4-carbohydrazide
CID 63569165

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide (CID 66128765) is 1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)CSCCCO)CC1.
What is the InChIKey of 1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is UFCCNPYVWFITBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c12-13-11(17)9-2-4-14(5-3-9)10(16)8-18-7-1-6-15/h9,15H,1-8,12H2,(H,13,17).
What are the key properties of 1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide?
1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 275.37 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 66128765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).