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

C20H25FN4O3 — CID 121437557

IUPAC(5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCN1c1cccc(F)c1
InChIInChI=1S/C20H25FN4O3/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
InChIKeyAFSFONATFSENCF-RBZFPXEDSA-N
MW388.44 g/mol
LogP1.63
Rot. Bonds5

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

(5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121437557) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID121437557
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC Name(5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCN1c1cccc(F)c1
InChIInChI=1S/C20H25FN4O3/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
InChIKeyAFSFONATFSENCF-RBZFPXEDSA-N
XLogP1.63
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 51.63
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 (5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 121437557) is (5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is C[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCN1c1cccc(F)c1.
What is the InChIKey of (5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is AFSFONATFSENCF-RBZFPXEDSA-N. The full InChI is InChI=1S/C20H25FN4O3/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 (5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 388.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclopropyl-5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121437557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).