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

C18H23FN4O3 — CID 121437621

IUPAC5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C)NC(=O)NC2=O)CCN1c1cccc(F)c1
InChIInChI=1S/C18H23FN4O3/c1-12-11-22(8-9-23(12)14-5-3-4-13(19)10-14)15(24)6-7-18(2)16(25)20-17(26)21-18/h3-5,10,12H,6-9,11H2,1-2H3,(H2,20,21,25,26)/t12-,18?/m0/s1
InChIKeyNZHFWSTVWWJDKQ-RSXQAXDFSA-N
MW362.41 g/mol
LogP1.24
Rot. Bonds4

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

5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121437621) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID121437621
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C)NC(=O)NC2=O)CCN1c1cccc(F)c1
InChIInChI=1S/C18H23FN4O3/c1-12-11-22(8-9-23(12)14-5-3-4-13(19)10-14)15(24)6-7-18(2)16(25)20-17(26)21-18/h3-5,10,12H,6-9,11H2,1-2H3,(H2,20,21,25,26)/t12-,18?/m0/s1
InChIKeyNZHFWSTVWWJDKQ-RSXQAXDFSA-N
XLogP1.24
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.24
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-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 121437621) is 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is C[C@H]1CN(C(=O)CCC2(C)NC(=O)NC2=O)CCN1c1cccc(F)c1.
What is the InChIKey of 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NZHFWSTVWWJDKQ-RSXQAXDFSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-12-11-22(8-9-23(12)14-5-3-4-13(19)10-14)15(24)6-7-18(2)16(25)20-17(26)21-18/h3-5,10,12H,6-9,11H2,1-2H3,(H2,20,21,25,26)/t12-,18?/m0/s1.
What are the key properties of 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 362.41 g/mol, XLogP of 1.24, 4 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-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121437621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).