(5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione

C24H31N3O4 — CID 26282420

IUPAC(5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCCc1ccc(CN2CCC([C@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)o1
InChIInChI=1S/C24H31N3O4/c1-4-19-8-9-21(31-19)16-27-12-10-18(11-13-27)24(22(28)26(2)23(29)25-24)15-17-6-5-7-20(14-17)30-3/h5-9,14,18H,4,10-13,15-16H2,1-3H3,(H,25,29)/t24-/m0/s1
InChIKeyYDNYLXDSLQHEIH-DEOSSOPVSA-N
MW425.53 g/mol
LogP3.23
Rot. Bonds7

About (5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione

(5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione (PubChem CID 26282420) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is (5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
PubChem CID26282420
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name(5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCCc1ccc(CN2CCC([C@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)o1
InChIInChI=1S/C24H31N3O4/c1-4-19-8-9-21(31-19)16-27-12-10-18(11-13-27)24(22(28)26(2)23(29)25-24)15-17-6-5-7-20(14-17)30-3/h5-9,14,18H,4,10-13,15-16H2,1-3H3,(H,25,29)/t24-/m0/s1
InChIKeyYDNYLXDSLQHEIH-DEOSSOPVSA-N
XLogP3.23
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
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-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione (CID 26282420) is (5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione is CCc1ccc(CN2CCC([C@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)o1.
What is the InChIKey of (5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione?
The InChIKey is YDNYLXDSLQHEIH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-4-19-8-9-21(31-19)16-27-12-10-18(11-13-27)24(22(28)26(2)23(29)25-24)15-17-6-5-7-20(14-17)30-3/h5-9,14,18H,4,10-13,15-16H2,1-3H3,(H,25,29)/t24-/m0/s1.
What are the key properties of (5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione?
(5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione has a molecular weight of 425.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 26282420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).