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

C20H40N4O2 — CID 170127715

IUPAC5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide
SMILESCCC(CC)CCCN1CCN(C(=O)C(C)CC(C)(C)C(=O)NN)CC1
InChIInChI=1S/C20H40N4O2/c1-6-17(7-2)9-8-10-23-11-13-24(14-12-23)18(25)16(3)15-20(4,5)19(26)22-21/h16-17H,6-15,21H2,1-5H3,(H,22,26)
InChIKeySZHVRZDAPWHYIU-UHFFFAOYSA-N
MW368.57 g/mol
LogP2.39
Rot. Bonds10

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

5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide (PubChem CID 170127715) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide.

Molecular Properties

Compound Name5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide
PubChem CID170127715
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC Name5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide
SMILESCCC(CC)CCCN1CCN(C(=O)C(C)CC(C)(C)C(=O)NN)CC1
InChIInChI=1S/C20H40N4O2/c1-6-17(7-2)9-8-10-23-11-13-24(14-12-23)18(25)16(3)15-20(4,5)19(26)22-21/h16-17H,6-15,21H2,1-5H3,(H,22,26)
InChIKeySZHVRZDAPWHYIU-UHFFFAOYSA-N
XLogP2.39
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide?
The IUPAC name of 5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide (CID 170127715) is 5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide.
What is the SMILES notation for 5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide?
The canonical SMILES for 5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide is CCC(CC)CCCN1CCN(C(=O)C(C)CC(C)(C)C(=O)NN)CC1.
What is the InChIKey of 5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide?
The InChIKey is SZHVRZDAPWHYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-6-17(7-2)9-8-10-23-11-13-24(14-12-23)18(25)16(3)15-20(4,5)19(26)22-21/h16-17H,6-15,21H2,1-5H3,(H,22,26).
What are the key properties of 5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide?
5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide has a molecular weight of 368.57 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide is sourced from PubChem (CID 170127715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).