(3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione

C25H31N5O3 — CID 167152736

IUPAC(3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione
SMILESCC(C)c1c(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)ncn1CCCN1CCOCC1
InChIInChI=1S/C25H31N5O3/c1-18(2)23-20(26-17-30(23)10-6-9-29-11-13-33-14-12-29)16-22-25(32)27-21(24(31)28-22)15-19-7-4-3-5-8-19/h3-5,7-8,15-18H,6,9-14H2,1-2H3,(H,27,32)(H,28,31)/b21-15-,22-16-
InChIKeyPOLRJSYVCVHLAK-BMJUYKDLSA-N
MW449.56 g/mol
LogP0.76
Rot. Bonds7

About (3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione

(3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione (PubChem CID 167152736) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is (3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione
PubChem CID167152736
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name(3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione
SMILESCC(C)c1c(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)ncn1CCCN1CCOCC1
InChIInChI=1S/C25H31N5O3/c1-18(2)23-20(26-17-30(23)10-6-9-29-11-13-33-14-12-29)16-22-25(32)27-21(24(31)28-22)15-19-7-4-3-5-8-19/h3-5,7-8,15-18H,6,9-14H2,1-2H3,(H,27,32)(H,28,31)/b21-15-,22-16-
InChIKeyPOLRJSYVCVHLAK-BMJUYKDLSA-N
XLogP0.76
TPSA96.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3Z,6Z)-3-[[3-(4-fluorobenzoyl)phenyl]methylidene]-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione
CID 167152729
(3Z,6Z)-3-[[3-(4-fluorophenoxy)phenyl]methylidene]-6-[[1-(3-phenoxypropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione
CID 170565535
(3Z,6Z)-3-[[3-(4-fluorobenzoyl)phenyl]methylidene]-6-[[5-propan-2-yl-1-(3-pyrrol-1-ylpropyl)imidazol-4-yl]methylidene]piperazine-2,5-dione
CID 170565531
(3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane
CID 145195747
5-methyl-3-(3-morpholin-4-ylpropyl)pyrimido[5,4-b]indol-4-one
CID 666243
4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine
CID 95200278
3-methylidene-6-[(5-propan-2-yl-1-prop-2-ynylimidazol-4-yl)methylidene]piperazine-2,5-dione
CID 175979319
(3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 56955044
4-[3-[4-[(Z)-(4-acetyl-3,6-dioxopiperazin-2-ylidene)methyl]-5-propan-2-ylimidazol-1-yl]propyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 167152837
3-benzylidene-6-propylidenepiperazine-2,5-dione
CID 3866178
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 42701327

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione (CID 167152736) is (3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione is CC(C)c1c(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)ncn1CCCN1CCOCC1.
What is the InChIKey of (3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione?
The InChIKey is POLRJSYVCVHLAK-BMJUYKDLSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-18(2)23-20(26-17-30(23)10-6-9-29-11-13-33-14-12-29)16-22-25(32)27-21(24(31)28-22)15-19-7-4-3-5-8-19/h3-5,7-8,15-18H,6,9-14H2,1-2H3,(H,27,32)(H,28,31)/b21-15-,22-16-.
What are the key properties of (3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione?
(3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione has a molecular weight of 449.56 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-benzylidene-6-[[1-(3-morpholin-4-ylpropyl)-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione is sourced from PubChem (CID 167152736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).