4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide

C21H28N4O4 — CID 155281627

IUPAC4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCOc1ccc(C2CCOCC2)c2ncc(NC(=O)N3CCC(C)(O)CC3)nc12
InChIInChI=1S/C21H28N4O4/c1-21(27)7-9-25(10-8-21)20(26)24-17-13-22-18-15(14-5-11-29-12-6-14)3-4-16(28-2)19(18)23-17/h3-4,13-14,27H,5-12H2,1-2H3,(H,23,24,26)
InChIKeyUCXRQQXKGCKCMN-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.91
Rot. Bonds3

About 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide

4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 155281627) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide
PubChem CID155281627
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCOc1ccc(C2CCOCC2)c2ncc(NC(=O)N3CCC(C)(O)CC3)nc12
InChIInChI=1S/C21H28N4O4/c1-21(27)7-9-25(10-8-21)20(26)24-17-13-22-18-15(14-5-11-29-12-6-14)3-4-16(28-2)19(18)23-17/h3-4,13-14,27H,5-12H2,1-2H3,(H,23,24,26)
InChIKeyUCXRQQXKGCKCMN-UHFFFAOYSA-N
XLogP2.91
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide (CID 155281627) is 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide is COc1ccc(C2CCOCC2)c2ncc(NC(=O)N3CCC(C)(O)CC3)nc12.
What is the InChIKey of 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is UCXRQQXKGCKCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-21(27)7-9-25(10-8-21)20(26)24-17-13-22-18-15(14-5-11-29-12-6-14)3-4-16(28-2)19(18)23-17/h3-4,13-14,27H,5-12H2,1-2H3,(H,23,24,26).
What are the key properties of 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide?
4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 155281627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).