5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione

C20H25ClN4O3 — CID 121437928

IUPAC5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN4O3/c1-13-12-24(9-10-25(13)16-4-2-3-15(21)11-16)17(26)7-8-20(14-5-6-14)18(27)22-19(28)23-20/h2-4,11,13-14H,5-10,12H2,1H3,(H2,22,23,27,28)/t13-,20?/m0/s1
InChIKeyIABWDXKLHPEEBX-SZQRVLIRSA-N
MW404.90 g/mol
LogP2.15
Rot. Bonds5

About 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione

5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione (PubChem CID 121437928) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
PubChem CID121437928
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC Name5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN4O3/c1-13-12-24(9-10-25(13)16-4-2-3-15(21)11-16)17(26)7-8-20(14-5-6-14)18(27)22-19(28)23-20/h2-4,11,13-14H,5-10,12H2,1H3,(H2,22,23,27,28)/t13-,20?/m0/s1
InChIKeyIABWDXKLHPEEBX-SZQRVLIRSA-N
XLogP2.15
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione (CID 121437928) is 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione is C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccc(Cl)c1.
What is the InChIKey of 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
The InChIKey is IABWDXKLHPEEBX-SZQRVLIRSA-N. The full InChI is InChI=1S/C20H25ClN4O3/c1-13-12-24(9-10-25(13)16-4-2-3-15(21)11-16)17(26)7-8-20(14-5-6-14)18(27)22-19(28)23-20/h2-4,11,13-14H,5-10,12H2,1H3,(H2,22,23,27,28)/t13-,20?/m0/s1.
What are the key properties of 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione has a molecular weight of 404.90 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 121437928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).