(5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

C18H25N3O5 — CID 95226226

IUPAC(5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(C2CCNCC2)NC(=O)N(Cc2cc(=O)c(OC)co2)C1=O
InChIInChI=1S/C18H25N3O5/c1-3-6-18(12-4-7-19-8-5-12)16(23)21(17(24)20-18)10-13-9-14(22)15(25-2)11-26-13/h9,11-12,19H,3-8,10H2,1-2H3,(H,20,24)/t18-/m0/s1
InChIKeyLWVUYQNIXHOWPY-SFHVURJKSA-N
MW363.41 g/mol
LogP1.24
Rot. Bonds6

About (5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

(5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione (PubChem CID 95226226) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is (5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
PubChem CID95226226
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name(5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(C2CCNCC2)NC(=O)N(Cc2cc(=O)c(OC)co2)C1=O
InChIInChI=1S/C18H25N3O5/c1-3-6-18(12-4-7-19-8-5-12)16(23)21(17(24)20-18)10-13-9-14(22)15(25-2)11-26-13/h9,11-12,19H,3-8,10H2,1-2H3,(H,20,24)/t18-/m0/s1
InChIKeyLWVUYQNIXHOWPY-SFHVURJKSA-N
XLogP1.24
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione (CID 95226226) is (5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione is CCC[C@@]1(C2CCNCC2)NC(=O)N(Cc2cc(=O)c(OC)co2)C1=O.
What is the InChIKey of (5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The InChIKey is LWVUYQNIXHOWPY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-3-6-18(12-4-7-19-8-5-12)16(23)21(17(24)20-18)10-13-9-14(22)15(25-2)11-26-13/h9,11-12,19H,3-8,10H2,1-2H3,(H,20,24)/t18-/m0/s1.
What are the key properties of (5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
(5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione has a molecular weight of 363.41 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 95226226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).