3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide

C12H26N4O — CID 79408588

IUPAC3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide
SMILESCCN(C1CCNCC1)C(C)C(C)C(=O)NN
InChIInChI=1S/C12H26N4O/c1-4-16(11-5-7-14-8-6-11)10(3)9(2)12(17)15-13/h9-11,14H,4-8,13H2,1-3H3,(H,15,17)
InChIKeyXMEQSPPTFPMBOO-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.07
Rot. Bonds5

About 3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide

3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide (PubChem CID 79408588) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide
PubChem CID79408588
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide
SMILESCCN(C1CCNCC1)C(C)C(C)C(=O)NN
InChIInChI=1S/C12H26N4O/c1-4-16(11-5-7-14-8-6-11)10(3)9(2)12(17)15-13/h9-11,14H,4-8,13H2,1-3H3,(H,15,17)
InChIKeyXMEQSPPTFPMBOO-UHFFFAOYSA-N
XLogP0.07
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.07
H-Bond Donors ≤ 53
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

3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide
CID 55213284
3-[cyclobutyl(2-hydroxyethyl)amino]-2-methylbutanehydrazide
CID 102873737
4-[piperidin-4-yl(propyl)amino]pentanehydrazide
CID 63579313
3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide
CID 79409545
methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate
CID 63299827
3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid
CID 79413481
N-ethyl-2-methyl-N-piperidin-4-ylpropanamide
CID 23369986
N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide
CID 60807515
N-ethyl-2-[methyl(piperidin-4-yl)amino]propanamide
CID 43607766
2-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-N-(2-methylpropyl)propanamide
CID 60800201
N-ethyl-3-methyl-N-piperidin-4-ylbutanamide
CID 60806063
2-[cyclopropyl(2-methylpropyl)amino]butanehydrazide
CID 63584160

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide?
The IUPAC name of 3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide (CID 79408588) is 3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide.
What is the SMILES notation for 3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide?
The canonical SMILES for 3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide is CCN(C1CCNCC1)C(C)C(C)C(=O)NN.
What is the InChIKey of 3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide?
The InChIKey is XMEQSPPTFPMBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-4-16(11-5-7-14-8-6-11)10(3)9(2)12(17)15-13/h9-11,14H,4-8,13H2,1-3H3,(H,15,17).
What are the key properties of 3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide?
3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide has a molecular weight of 242.37 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide is sourced from PubChem (CID 79408588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).