methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one

C30H33N5O5 — CID 143791273

About methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one

methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one (PubChem CID 143791273) has the molecular formula C30H33N5O5 and a molecular weight of 543.62 g/mol. Its IUPAC name is methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one
• PubChem CID: 143791273
• Molecular Formula: C30H33N5O5
• Molecular Weight: 543.62 g/mol
• Exact Mass: 543.25
• IUPAC Name: methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one
• SMILES: COC.Cc1cc(C(=O)c2ccnc(N3CCC(N4CCc5ccccc5NC4=O)CC3)c2)cc2oc(=O)[nH]c12
• InChI: InChI=1S/C28H27N5O4.C2H6O/c1-17-14-20(15-23-25(17)31-28(36)37-23)26(34)19-6-10-29-24(16-19)32-11-8-21(9-12-32)33-13-7-18-4-2-3-5-22(18)30-27(33)35;1-3-2/h2-6,10,14-16,21H,7-9,11-13H2,1H3,(H,30,35)(H,31,36);1-2H3
• InChIKey: GJLNSNLTGLBPDI-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 120.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.62
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one?

The IUPAC name of methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one (CID 143791273) is methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one.

What is the SMILES notation for methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one?

The canonical SMILES for methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one is COC.Cc1cc(C(=O)c2ccnc(N3CCC(N4CCc5ccccc5NC4=O)CC3)c2)cc2oc(=O)[nH]c12.

What is the InChIKey of methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one?

The InChIKey is GJLNSNLTGLBPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4.C2H6O/c1-17-14-20(15-23-25(17)31-28(36)37-23)26(34)19-6-10-29-24(16-19)32-11-8-21(9-12-32)33-13-7-18-4-2-3-5-22(18)30-27(33)35;1-3-2/h2-6,10,14-16,21H,7-9,11-13H2,1H3,(H,30,35)(H,31,36);1-2H3.

What are the key properties of methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one?

methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 543.62 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methoxymethane;4-methyl-6-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyridine-4-carbonyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 143791273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).