2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide

C19H38N4O2 — CID 170127127

IUPAC2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide
SMILESCC(C)CCCCN1CCN(C(=O)C(C)(C)CC(C)C(=O)NN)CC1
InChIInChI=1S/C19H38N4O2/c1-15(2)8-6-7-9-22-10-12-23(13-11-22)18(25)19(4,5)14-16(3)17(24)21-20/h15-16H,6-14,20H2,1-5H3,(H,21,24)
InChIKeyNRSFBXHWHDLNFI-UHFFFAOYSA-N
MW354.54 g/mol
LogP2.00
Rot. Bonds9

About 2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide

2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide (PubChem CID 170127127) has the molecular formula C19H38N4O2 and a molecular weight of 354.54 g/mol. Its IUPAC name is 2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide.

Molecular Properties

Compound Name2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide
PubChem CID170127127
Molecular FormulaC19H38N4O2
Molecular Weight354.54 g/mol
Exact Mass354.30
IUPAC Name2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide
SMILESCC(C)CCCCN1CCN(C(=O)C(C)(C)CC(C)C(=O)NN)CC1
InChIInChI=1S/C19H38N4O2/c1-15(2)8-6-7-9-22-10-12-23(13-11-22)18(25)19(4,5)14-16(3)17(24)21-20/h15-16H,6-14,20H2,1-5H3,(H,21,24)
InChIKeyNRSFBXHWHDLNFI-UHFFFAOYSA-N
XLogP2.00
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide?
The IUPAC name of 2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide (CID 170127127) is 2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide.
What is the SMILES notation for 2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide?
The canonical SMILES for 2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide is CC(C)CCCCN1CCN(C(=O)C(C)(C)CC(C)C(=O)NN)CC1.
What is the InChIKey of 2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide?
The InChIKey is NRSFBXHWHDLNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2/c1-15(2)8-6-7-9-22-10-12-23(13-11-22)18(25)19(4,5)14-16(3)17(24)21-20/h15-16H,6-14,20H2,1-5H3,(H,21,24).
What are the key properties of 2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide?
2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide has a molecular weight of 354.54 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide is sourced from PubChem (CID 170127127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).