(E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one

C26H49NO — CID 21297947

IUPAC(E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one
SMILESC/C(=C\C(=O)N1CCC(C)CC1)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C26H49NO/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-25(6)20-26(28)27-18-16-24(5)17-19-27/h20-24H,7-19H2,1-6H3/b25-20+
InChIKeySEVNNAOQEWBUGB-LKUDQCMESA-N
MW391.68 g/mol
LogP7.63
Rot. Bonds13

About (E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one

(E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one (PubChem CID 21297947) has the molecular formula C26H49NO and a molecular weight of 391.68 g/mol. Its IUPAC name is (E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one.

Molecular Properties

Compound Name(E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one
PubChem CID21297947
Molecular FormulaC26H49NO
Molecular Weight391.68 g/mol
Exact Mass391.38
IUPAC Name(E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one
SMILESC/C(=C\C(=O)N1CCC(C)CC1)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C26H49NO/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-25(6)20-26(28)27-18-16-24(5)17-19-27/h20-24H,7-19H2,1-6H3/b25-20+
InChIKeySEVNNAOQEWBUGB-LKUDQCMESA-N
XLogP7.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.68
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one?
The IUPAC name of (E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one (CID 21297947) is (E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one.
What is the SMILES notation for (E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one?
The canonical SMILES for (E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one is C/C(=C\C(=O)N1CCC(C)CC1)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one?
The InChIKey is SEVNNAOQEWBUGB-LKUDQCMESA-N. The full InChI is InChI=1S/C26H49NO/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-25(6)20-26(28)27-18-16-24(5)17-19-27/h20-24H,7-19H2,1-6H3/b25-20+.
What are the key properties of (E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one?
(E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one has a molecular weight of 391.68 g/mol, XLogP of 7.63, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7,11,15-tetramethyl-1-(4-methylpiperidin-1-yl)hexadec-2-en-1-one is sourced from PubChem (CID 21297947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).