1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane

C31H53N3O2 — CID 143071712

IUPAC1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane
SMILESC=C(/C=C(\C=C/CN1CCN(CC(=O)CCC)CC1)N1CCOCC1)C(=C=CC)CCCC.CCC
InChIInChI=1S/C28H45N3O2.C3H8/c1-5-8-12-26(10-6-2)25(4)23-27(31-19-21-33-22-20-31)13-9-14-29-15-17-30(18-16-29)24-28(32)11-7-3;1-3-2/h6,9,13,23H,4-5,7-8,11-12,14-22,24H2,1-3H3;3H2,1-2H3/b13-9-,27-23+;
InChIKeyZRIXGLBXRFMIAY-MPABZZAFSA-N
MW499.78 g/mol
LogP6.01
Rot. Bonds13

About 1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane

1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane (PubChem CID 143071712) has the molecular formula C31H53N3O2 and a molecular weight of 499.78 g/mol. Its IUPAC name is 1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane.

Molecular Properties

Compound Name1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane
PubChem CID143071712
Molecular FormulaC31H53N3O2
Molecular Weight499.78 g/mol
Exact Mass499.41
IUPAC Name1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane
SMILESC=C(/C=C(\C=C/CN1CCN(CC(=O)CCC)CC1)N1CCOCC1)C(=C=CC)CCCC.CCC
InChIInChI=1S/C28H45N3O2.C3H8/c1-5-8-12-26(10-6-2)25(4)23-27(31-19-21-33-22-20-31)13-9-14-29-15-17-30(18-16-29)24-28(32)11-7-3;1-3-2/h6,9,13,23H,4-5,7-8,11-12,14-22,24H2,1-3H3;3H2,1-2H3/b13-9-,27-23+;
InChIKeyZRIXGLBXRFMIAY-MPABZZAFSA-N
XLogP6.01
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.78
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine
CID 144607333
(E)-4-morpholin-4-ylbut-2-enoic acid
CID 22466617
4-[(E)-but-2-enyl]morpholine
CID 10909666
4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 142175589
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
4-[(E)-non-4-en-5-yl]morpholine
CID 12725345
2-morpholin-4-ylundec-2-en-6-one
CID 57160366
ethyl (E)-4-(1,4-oxazepan-4-yl)but-2-enoate
CID 80549639
4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine
CID 155748079
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
1-[4-(2-oxodecyl)-1,4-diazepan-1-yl]decan-2-one
CID 66920423
(Z)-2-morpholin-4-ylbut-2-enal
CID 11367132

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane?
The IUPAC name of 1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane (CID 143071712) is 1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane.
What is the SMILES notation for 1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane?
The canonical SMILES for 1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane is C=C(/C=C(\C=C/CN1CCN(CC(=O)CCC)CC1)N1CCOCC1)C(=C=CC)CCCC.CCC.
What is the InChIKey of 1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane?
The InChIKey is ZRIXGLBXRFMIAY-MPABZZAFSA-N. The full InChI is InChI=1S/C28H45N3O2.C3H8/c1-5-8-12-26(10-6-2)25(4)23-27(31-19-21-33-22-20-31)13-9-14-29-15-17-30(18-16-29)24-28(32)11-7-3;1-3-2/h6,9,13,23H,4-5,7-8,11-12,14-22,24H2,1-3H3;3H2,1-2H3/b13-9-,27-23+;.
What are the key properties of 1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane?
1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane has a molecular weight of 499.78 g/mol, XLogP of 6.01, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2Z,4E)-6-methylidene-4-morpholin-4-yl-7-prop-1-enylideneundeca-2,4-dienyl]piperazin-1-yl]pentan-2-one;propane is sourced from PubChem (CID 143071712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).