(2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one

C27H46N2O — CID 21298037

IUPAC(2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one
SMILESCCCN1CCN(C(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC1
InChIInChI=1S/C27H46N2O/c1-7-17-28-18-20-29(21-19-28)27(30)22-26(6)16-10-15-25(5)14-9-13-24(4)12-8-11-23(2)3/h11,13,15,22H,7-10,12,14,16-21H2,1-6H3/b24-13+,25-15+,26-22+
InChIKeyZODYHLZYAWBSTQ-TYKGBFNRSA-N
MW414.68 g/mol
LogP6.69
Rot. Bonds12

About (2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one

(2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one (PubChem CID 21298037) has the molecular formula C27H46N2O and a molecular weight of 414.68 g/mol. Its IUPAC name is (2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one.

Molecular Properties

Compound Name(2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one
PubChem CID21298037
Molecular FormulaC27H46N2O
Molecular Weight414.68 g/mol
Exact Mass414.36
IUPAC Name(2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one
SMILESCCCN1CCN(C(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC1
InChIInChI=1S/C27H46N2O/c1-7-17-28-18-20-29(21-19-28)27(30)22-26(6)16-10-15-25(5)14-9-13-24(4)12-8-11-23(2)3/h11,13,15,22H,7-10,12,14,16-21H2,1-6H3/b24-13+,25-15+,26-22+
InChIKeyZODYHLZYAWBSTQ-TYKGBFNRSA-N
XLogP6.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.68
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one with MolForge

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Launch Full Analysis

Related Compounds

N'-Methylpiperazinyl geranylgeranyl acetamide
CID 6442976
(2E)-N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168612
Piperazine, 1-formyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6445848
Piperazine, 1-(4-methyl-1-piperazinylacetyl)-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446869
(2E,4E,6E)-7-fluoro-4-[(Z)-prop-1-enyl]-1-(4-propylpiperazin-1-yl)hepta-2,4,6-trien-1-one
CID 142202286
a-Geranylpiperidine
CID 129763847
N'-Geranylpiperazinyl farnesyl acetamide
CID 6442975
1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione
CID 101193636
5,9,13,17-Tetramethyl-1-(4-methylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
CID 185014
(2E,6E)-3,7,11-trimethyl-1-(4-methylpiperazin-1-yl)dodeca-2,6,10-trien-1-one
CID 10471161
(4E,8E,12E)-1-(4-butylpiperazin-1-yl)-5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-one
CID 13518420
(2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 14129826

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one?
The IUPAC name of (2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one (CID 21298037) is (2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one.
What is the SMILES notation for (2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one?
The canonical SMILES for (2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one is CCCN1CCN(C(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC1.
What is the InChIKey of (2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one?
The InChIKey is ZODYHLZYAWBSTQ-TYKGBFNRSA-N. The full InChI is InChI=1S/C27H46N2O/c1-7-17-28-18-20-29(21-19-28)27(30)22-26(6)16-10-15-25(5)14-9-13-24(4)12-8-11-23(2)3/h11,13,15,22H,7-10,12,14,16-21H2,1-6H3/b24-13+,25-15+,26-22+.
What are the key properties of (2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one?
(2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one has a molecular weight of 414.68 g/mol, XLogP of 6.69, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one is sourced from PubChem (CID 21298037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).