(5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione

C20H25N3O5 — CID 165420309

IUPAC(5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESCOc1cccc2c1C1(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC1)OCC2
InChIInChI=1S/C20H25N3O5/c1-27-15-4-2-3-13-7-12-28-20(17(13)15)8-10-23(11-9-20)16(24)6-5-14-18(25)22-19(26)21-14/h2-4,14H,5-12H2,1H3,(H2,21,22,25,26)/t14-/m0/s1
InChIKeyALUQXOAIIHQQFL-AWEZNQCLSA-N
MW387.44 g/mol
LogP1.07
Rot. Bonds4

About (5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione

(5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 165420309) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is (5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID165420309
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name(5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESCOc1cccc2c1C1(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC1)OCC2
InChIInChI=1S/C20H25N3O5/c1-27-15-4-2-3-13-7-12-28-20(17(13)15)8-10-23(11-9-20)16(24)6-5-14-18(25)22-19(26)21-14/h2-4,14H,5-12H2,1H3,(H2,21,22,25,26)/t14-/m0/s1
InChIKeyALUQXOAIIHQQFL-AWEZNQCLSA-N
XLogP1.07
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 165420309) is (5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione is COc1cccc2c1C1(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC1)OCC2.
What is the InChIKey of (5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is ALUQXOAIIHQQFL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-27-15-4-2-3-13-7-12-28-20(17(13)15)8-10-23(11-9-20)16(24)6-5-14-18(25)22-19(26)21-14/h2-4,14H,5-12H2,1H3,(H2,21,22,25,26)/t14-/m0/s1.
What are the key properties of (5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 387.44 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 165420309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).