1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide

C12H24N4O2S — CID 66231444

IUPAC1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide
SMILESCCC(N)CSCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C12H24N4O2S/c1-2-10(13)7-19-8-11(17)16-5-3-9(4-6-16)12(18)15-14/h9-10H,2-8,13-14H2,1H3,(H,15,18)
InChIKeyYGGHQIMQFXXBMZ-UHFFFAOYSA-N
MW288.42 g/mol
LogP-0.31
Rot. Bonds6

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

1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide (PubChem CID 66231444) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide
PubChem CID66231444
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide
SMILESCCC(N)CSCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C12H24N4O2S/c1-2-10(13)7-19-8-11(17)16-5-3-9(4-6-16)12(18)15-14/h9-10H,2-8,13-14H2,1H3,(H,15,18)
InChIKeyYGGHQIMQFXXBMZ-UHFFFAOYSA-N
XLogP-0.31
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66218506
1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 107760970
1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66128765
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
2-(2-aminobutylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 66227995
1-[2-[ethyl(propan-2-yl)amino]acetyl]piperidine-4-carbohydrazide
CID 63574205
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
1-[2-[cyclopropyl(propyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63572523
1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 107782874
1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63583399
1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63581145
(2S)-2-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropanoic acid
CID 93031221

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide (CID 66231444) is 1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide is CCC(N)CSCC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is YGGHQIMQFXXBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-2-10(13)7-19-8-11(17)16-5-3-9(4-6-16)12(18)15-14/h9-10H,2-8,13-14H2,1H3,(H,15,18).
What are the key properties of 1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide?
1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 288.42 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 66231444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).