1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide

C24H43N3O2 — CID 91207184

IUPAC1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide
SMILESCC.CCCN1CCN(CCC2CCCCC2)CC1.O=C(NO)c1ccccc1
InChIInChI=1S/C15H30N2.C7H7NO2.C2H6/c1-2-9-16-11-13-17(14-12-16)10-8-15-6-4-3-5-7-15;9-7(8-10)6-4-2-1-3-5-6;1-2/h15H,2-14H2,1H3;1-5,10H,(H,8,9);1-2H3
InChIKeySVFXFJUDVLIQBV-UHFFFAOYSA-N
MW405.63 g/mol
LogP4.82
Rot. Bonds6

About 1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide

1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide (PubChem CID 91207184) has the molecular formula C24H43N3O2 and a molecular weight of 405.63 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide
PubChem CID91207184
Molecular FormulaC24H43N3O2
Molecular Weight405.63 g/mol
Exact Mass405.34
IUPAC Name1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide
SMILESCC.CCCN1CCN(CCC2CCCCC2)CC1.O=C(NO)c1ccccc1
InChIInChI=1S/C15H30N2.C7H7NO2.C2H6/c1-2-9-16-11-13-17(14-12-16)10-8-15-6-4-3-5-7-15;9-7(8-10)6-4-2-1-3-5-6;1-2/h15H,2-14H2,1H3;1-5,10H,(H,8,9);1-2H3
InChIKeySVFXFJUDVLIQBV-UHFFFAOYSA-N
XLogP4.82
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.63
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide?
The IUPAC name of 1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide (CID 91207184) is 1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide?
The canonical SMILES for 1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide is CC.CCCN1CCN(CCC2CCCCC2)CC1.O=C(NO)c1ccccc1.
What is the InChIKey of 1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide?
The InChIKey is SVFXFJUDVLIQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C7H7NO2.C2H6/c1-2-9-16-11-13-17(14-12-16)10-8-15-6-4-3-5-7-15;9-7(8-10)6-4-2-1-3-5-6;1-2/h15H,2-14H2,1H3;1-5,10H,(H,8,9);1-2H3.
What are the key properties of 1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide?
1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide has a molecular weight of 405.63 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide is sourced from PubChem (CID 91207184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).