[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone

C26H28FN3O5 — CID 24535217

IUPAC[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CC(C(=O)N3CCOCC3)Oc3ccccc32)C1
InChIInChI=1S/C26H28FN3O5/c27-20-9-7-18(8-10-20)24(31)29-11-3-4-19(16-29)25(32)30-17-23(26(33)28-12-14-34-15-13-28)35-22-6-2-1-5-21(22)30/h1-2,5-10,19,23H,3-4,11-17H2
InChIKeyUKZNVXYYYWZMDC-UHFFFAOYSA-N
MW481.52 g/mol
LogP2.33
Rot. Bonds3

About [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone

[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone (PubChem CID 24535217) has the molecular formula C26H28FN3O5 and a molecular weight of 481.52 g/mol. Its IUPAC name is [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
PubChem CID24535217
Molecular FormulaC26H28FN3O5
Molecular Weight481.52 g/mol
Exact Mass481.20
IUPAC Name[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CC(C(=O)N3CCOCC3)Oc3ccccc32)C1
InChIInChI=1S/C26H28FN3O5/c27-20-9-7-18(8-10-20)24(31)29-11-3-4-19(16-29)25(32)30-17-23(26(33)28-12-14-34-15-13-28)35-22-6-2-1-5-21(22)30/h1-2,5-10,19,23H,3-4,11-17H2
InChIKeyUKZNVXYYYWZMDC-UHFFFAOYSA-N
XLogP2.33
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone with MolForge

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Related Compounds

[4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 17464763
cyclopentyl-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 71901442
cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 8944781
[(2R)-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 9246660
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
morpholin-4-yl-[(2R)-4-[4-(trifluoromethyl)benzoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]methanone
CID 27446701
[(2R)-4-(3,4-difluorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 8944843
2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 24506214
2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 51272537
[4-[5-(4-fluorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 17437340
[1-(4-fluorobenzoyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 24541572
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
The IUPAC name of [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone (CID 24535217) is [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone.
What is the SMILES notation for [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
The canonical SMILES for [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone is O=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CC(C(=O)N3CCOCC3)Oc3ccccc32)C1.
What is the InChIKey of [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
The InChIKey is UKZNVXYYYWZMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O5/c27-20-9-7-18(8-10-20)24(31)29-11-3-4-19(16-29)25(32)30-17-23(26(33)28-12-14-34-15-13-28)35-22-6-2-1-5-21(22)30/h1-2,5-10,19,23H,3-4,11-17H2.
What are the key properties of [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone has a molecular weight of 481.52 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone is sourced from PubChem (CID 24535217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).