(5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

C18H22Cl2N4O3 — CID 121437821

IUPAC(5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CC[C@@]2(C)NC(=O)NC2=O)CCN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H22Cl2N4O3/c1-11-10-23(7-8-24(11)12-3-4-13(19)14(20)9-12)15(25)5-6-18(2)16(26)21-17(27)22-18/h3-4,9,11H,5-8,10H2,1-2H3,(H2,21,22,26,27)/t11-,18+/m0/s1
InChIKeyUJRBIZNZOPPPEC-BBATYDOGSA-N
MW413.31 g/mol
LogP2.41
Rot. Bonds4

About (5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

(5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121437821) has the molecular formula C18H22Cl2N4O3 and a molecular weight of 413.31 g/mol. Its IUPAC name is (5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID121437821
Molecular FormulaC18H22Cl2N4O3
Molecular Weight413.31 g/mol
Exact Mass412.11
IUPAC Name(5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CC[C@@]2(C)NC(=O)NC2=O)CCN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H22Cl2N4O3/c1-11-10-23(7-8-24(11)12-3-4-13(19)14(20)9-12)15(25)5-6-18(2)16(26)21-17(27)22-18/h3-4,9,11H,5-8,10H2,1-2H3,(H2,21,22,26,27)/t11-,18+/m0/s1
InChIKeyUJRBIZNZOPPPEC-BBATYDOGSA-N
XLogP2.41
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3,4-Dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3155911
N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide
CID 11690139
N-(3,4-Dichlorophenyl)-4-{[(2R)-4-isopropylpiperazin-2-yl]carbonyl}piperazine-1-carboxamide
CID 57656833
N-(3,4-Dichlorophenyl)-4-{[(2R)-4-ethylpiperazin-2-yl]carbonyl}piperazine-1-carboxamide
CID 57656871
N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide
CID 67220645
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437569
5-Cyclopropyl-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437693
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclobutylimidazolidine-2,4-dione
CID 121437752
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 121437768
5-[3-[4-(3,5-Dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437795
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 121437858
5-cyclopropyl-5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437894

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 121437821) is (5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is C[C@H]1CN(C(=O)CC[C@@]2(C)NC(=O)NC2=O)CCN1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is UJRBIZNZOPPPEC-BBATYDOGSA-N. The full InChI is InChI=1S/C18H22Cl2N4O3/c1-11-10-23(7-8-24(11)12-3-4-13(19)14(20)9-12)15(25)5-6-18(2)16(26)21-17(27)22-18/h3-4,9,11H,5-8,10H2,1-2H3,(H2,21,22,26,27)/t11-,18+/m0/s1.
What are the key properties of (5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 413.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121437821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).