(5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

C26H29N5O3 — CID 42322542

IUPAC(5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1cccc(C[C@@]2(C3CCN(Cc4cccc5nccnc45)CC3)NC(=O)N(C)C2=O)c1
InChIInChI=1S/C26H29N5O3/c1-30-24(32)26(29-25(30)33,16-18-5-3-7-21(15-18)34-2)20-9-13-31(14-10-20)17-19-6-4-8-22-23(19)28-12-11-27-22/h3-8,11-12,15,20H,9-10,13-14,16-17H2,1-2H3,(H,29,33)/t26-/m0/s1
InChIKeyDFMUWKAGJNPWEO-SANMLTNESA-N
MW459.55 g/mol
LogP3.01
Rot. Bonds6

About (5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

(5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42322542) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is (5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID42322542
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name(5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1cccc(C[C@@]2(C3CCN(Cc4cccc5nccnc45)CC3)NC(=O)N(C)C2=O)c1
InChIInChI=1S/C26H29N5O3/c1-30-24(32)26(29-25(30)33,16-18-5-3-7-21(15-18)34-2)20-9-13-31(14-10-20)17-19-6-4-8-22-23(19)28-12-11-27-22/h3-8,11-12,15,20H,9-10,13-14,16-17H2,1-2H3,(H,29,33)/t26-/m0/s1
InChIKeyDFMUWKAGJNPWEO-SANMLTNESA-N
XLogP3.01
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.01
H-Bond Donors ≤ 51
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)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 42322542) is (5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione is COc1cccc(C[C@@]2(C3CCN(Cc4cccc5nccnc45)CC3)NC(=O)N(C)C2=O)c1.
What is the InChIKey of (5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is DFMUWKAGJNPWEO-SANMLTNESA-N. The full InChI is InChI=1S/C26H29N5O3/c1-30-24(32)26(29-25(30)33,16-18-5-3-7-21(15-18)34-2)20-9-13-31(14-10-20)17-19-6-4-8-22-23(19)28-12-11-27-22/h3-8,11-12,15,20H,9-10,13-14,16-17H2,1-2H3,(H,29,33)/t26-/m0/s1.
What are the key properties of (5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
(5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 459.55 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42322542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).