carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium)

C46H62N6O4Y2-2 — CID 161453843

IUPACcarbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium)
SMILESCC.CC.O=C1C=CC(=O)N1c1ccccc1.O=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1c1ccccc1.[CH3-].[CH3-].[H][2H].[Y].[Y].c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C20H21N3O2.C10H14N2.C10H7NO2.2C2H6.2CH3.2Y.H2/c24-19-15-18(20(25)23(19)17-9-5-2-6-10-17)22-13-11-21(12-14-22)16-7-3-1-4-8-16;1-2-4-10(5-3-1)12-8-6-11-7-9-12;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;2*1-2;;;;;/h1-10,18H,11-15H2;1-5,11H,6-9H2;1-7H;2*1-2H3;2*1H3;;;1H/q;;;;;2*-1;;;/i;;;;;;;;;1+1
InChIKeyLLPKDNBDPCNQGO-AOZJVWGDSA-N
MW941.86 g/mol
LogP7.55
Rot. Bonds5

About carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium)

carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium) (PubChem CID 161453843) has the molecular formula C46H62N6O4Y2-2 and a molecular weight of 941.86 g/mol. Its IUPAC name is carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium).

Molecular Properties

Compound Namecarbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium)
PubChem CID161453843
Molecular FormulaC46H62N6O4Y2-2
Molecular Weight941.86 g/mol
Exact Mass941.30
IUPAC Namecarbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium)
SMILESCC.CC.O=C1C=CC(=O)N1c1ccccc1.O=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1c1ccccc1.[CH3-].[CH3-].[H][2H].[Y].[Y].c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C20H21N3O2.C10H14N2.C10H7NO2.2C2H6.2CH3.2Y.H2/c24-19-15-18(20(25)23(19)17-9-5-2-6-10-17)22-13-11-21(12-14-22)16-7-3-1-4-8-16;1-2-4-10(5-3-1)12-8-6-11-7-9-12;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;2*1-2;;;;;/h1-10,18H,11-15H2;1-5,11H,6-9H2;1-7H;2*1-2H3;2*1H3;;;1H/q;;;;;2*-1;;;/i;;;;;;;;;1+1
InChIKeyLLPKDNBDPCNQGO-AOZJVWGDSA-N
XLogP7.55
TPSA96.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.86
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium) with MolForge

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Related Compounds

(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
(3S)-1-(2-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 896564
[4-[(3S)-2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]phenyl] acetate
CID 1239119
[4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]phenyl] acetate
CID 4913643
1-(4-butoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2869051
(3S)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 1113020
(3R)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1115587
4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperazine-1-carbaldehyde
CID 2877126
(3S)-1-(2-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1087567
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1381072
ethyl 4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoate
CID 2877201
1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773613

Frequently Asked Questions

What is the IUPAC name of carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium)?
The IUPAC name of carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium) (CID 161453843) is carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium).
What is the SMILES notation for carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium)?
The canonical SMILES for carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium) is CC.CC.O=C1C=CC(=O)N1c1ccccc1.O=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1c1ccccc1.[CH3-].[CH3-].[H][2H].[Y].[Y].c1ccc(N2CCNCC2)cc1.
What is the InChIKey of carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium)?
The InChIKey is LLPKDNBDPCNQGO-AOZJVWGDSA-N. The full InChI is InChI=1S/C20H21N3O2.C10H14N2.C10H7NO2.2C2H6.2CH3.2Y.H2/c24-19-15-18(20(25)23(19)17-9-5-2-6-10-17)22-13-11-21(12-14-22)16-7-3-1-4-8-16;1-2-4-10(5-3-1)12-8-6-11-7-9-12;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;2*1-2;;;;;/h1-10,18H,11-15H2;1-5,11H,6-9H2;1-7H;2*1-2H3;2*1H3;;;1H/q;;;;;2*-1;;;/i;;;;;;;;;1+1.
What are the key properties of carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium)?
carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium) has a molecular weight of 941.86 g/mol, XLogP of 7.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;deuterium monohydride;ethane;1-phenyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione;1-phenylpiperazine;1-phenylpyrrole-2,5-dione;bis(yttrium) is sourced from PubChem (CID 161453843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).