(Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one

C23H44N2O — CID 16726156

IUPAC(Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C23H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)25-21-19-24(2)20-22-25/h10-11H,3-9,12-22H2,1-2H3/b11-10-
InChIKeyYVAUJVPCVYINBY-KHPPLWFESA-N
MW364.62 g/mol
LogP5.80
Rot. Bonds15

About (Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one

(Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one (PubChem CID 16726156) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is (Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one
PubChem CID16726156
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name(Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C23H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)25-21-19-24(2)20-22-25/h10-11H,3-9,12-22H2,1-2H3/b11-10-
InChIKeyYVAUJVPCVYINBY-KHPPLWFESA-N
XLogP5.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one?
The IUPAC name of (Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one (CID 16726156) is (Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one.
What is the SMILES notation for (Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one?
The canonical SMILES for (Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one is CCCCCCCC/C=C\CCCCCCCC(=O)N1CCN(C)CC1.
What is the InChIKey of (Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one?
The InChIKey is YVAUJVPCVYINBY-KHPPLWFESA-N. The full InChI is InChI=1S/C23H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)25-21-19-24(2)20-22-25/h10-11H,3-9,12-22H2,1-2H3/b11-10-.
What are the key properties of (Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one?
(Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one has a molecular weight of 364.62 g/mol, XLogP of 5.80, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methylpiperazin-1-yl)octadec-9-en-1-one is sourced from PubChem (CID 16726156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).