5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane

C28H39N5O3 — CID 145108962

IUPAC5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane
SMILESC=C/C=N/C=C(\C)c1cccc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)CC2)c1.CCC
InChIInChI=1S/C25H31N5O3.C3H8/c1-3-11-26-17-18(2)19-5-4-6-21(16-19)29-12-14-30(15-13-29)22(31)9-10-25(20-7-8-20)23(32)27-24(33)28-25;1-3-2/h3-6,11,16-17,20H,1,7-10,12-15H2,2H3,(H2,27,28,32,33);3H2,1-2H3/b18-17+,26-11+;
InChIKeyPUCOKEJVIDPBKZ-YZJYEGTESA-N
MW493.65 g/mol
LogP4.14
Rot. Bonds8

About 5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane

5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane (PubChem CID 145108962) has the molecular formula C28H39N5O3 and a molecular weight of 493.65 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane
PubChem CID145108962
Molecular FormulaC28H39N5O3
Molecular Weight493.65 g/mol
Exact Mass493.31
IUPAC Name5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane
SMILESC=C/C=N/C=C(\C)c1cccc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)CC2)c1.CCC
InChIInChI=1S/C25H31N5O3.C3H8/c1-3-11-26-17-18(2)19-5-4-6-21(16-19)29-12-14-30(15-13-29)22(31)9-10-25(20-7-8-20)23(32)27-24(33)28-25;1-3-2/h3-6,11,16-17,20H,1,7-10,12-15H2,2H3,(H2,27,28,32,33);3H2,1-2H3/b18-17+,26-11+;
InChIKeyPUCOKEJVIDPBKZ-YZJYEGTESA-N
XLogP4.14
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-5-[3-[4-[3-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 146266054
5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane
CID 145108931
5-cyclopropyl-5-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437710
5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 145108870
5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 164626807
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propyl]imidazolidine-2,4-dione
CID 156823176
5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione
CID 121437938
5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437603
5-(4-chlorophenyl)-5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437904
(5S)-5-[3-(7-chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 166705295
(5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 139581796
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylpyrrolidine-2,4-dione
CID 159160080

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane?
The IUPAC name of 5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane (CID 145108962) is 5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane.
What is the SMILES notation for 5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane?
The canonical SMILES for 5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane is C=C/C=N/C=C(\C)c1cccc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)CC2)c1.CCC.
What is the InChIKey of 5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane?
The InChIKey is PUCOKEJVIDPBKZ-YZJYEGTESA-N. The full InChI is InChI=1S/C25H31N5O3.C3H8/c1-3-11-26-17-18(2)19-5-4-6-21(16-19)29-12-14-30(15-13-29)22(31)9-10-25(20-7-8-20)23(32)27-24(33)28-25;1-3-2/h3-6,11,16-17,20H,1,7-10,12-15H2,2H3,(H2,27,28,32,33);3H2,1-2H3/b18-17+,26-11+;.
What are the key properties of 5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane?
5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane has a molecular weight of 493.65 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane is sourced from PubChem (CID 145108962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).