[(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C23H32FN3O3 — CID 93019308

IUPAC[(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCC1CCC2(CC1)OC[C@H](C(=O)N1CCCN(C)CC1)N2C(=O)c1ccccc1F
InChIInChI=1S/C23H32FN3O3/c1-17-8-10-23(11-9-17)27(21(28)18-6-3-4-7-19(18)24)20(16-30-23)22(29)26-13-5-12-25(2)14-15-26/h3-4,6-7,17,20H,5,8-16H2,1-2H3/t17?,20-,23?/m1/s1
InChIKeyABGGBVFQZCQRCJ-WEQDKIBNSA-N
MW417.53 g/mol
LogP2.74
Rot. Bonds2

About [(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 93019308) has the molecular formula C23H32FN3O3 and a molecular weight of 417.53 g/mol. Its IUPAC name is [(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID93019308
Molecular FormulaC23H32FN3O3
Molecular Weight417.53 g/mol
Exact Mass417.24
IUPAC Name[(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCC1CCC2(CC1)OC[C@H](C(=O)N1CCCN(C)CC1)N2C(=O)c1ccccc1F
InChIInChI=1S/C23H32FN3O3/c1-17-8-10-23(11-9-17)27(21(28)18-6-3-4-7-19(18)24)20(16-30-23)22(29)26-13-5-12-25(2)14-15-26/h3-4,6-7,17,20H,5,8-16H2,1-2H3/t17?,20-,23?/m1/s1
InChIKeyABGGBVFQZCQRCJ-WEQDKIBNSA-N
XLogP2.74
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone with MolForge

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Related Compounds

1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
CID 46110821
4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110816
cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone
CID 42882205
[8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 71956094
[4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 71956548
(3R)-4-(2-fluorobenzoyl)-N-(3-methoxypropyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93019292
(3R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 98640129
[(3S)-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 93019040
[8-(2-fluorobenzoyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 42820973
[4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 71955902
(3R,5S,7R)-N-benzyl-4-(2-fluorobenzoyl)-7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 98405136
3,3-dimethyl-1-[4-(2-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 71955196

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 93019308) is [(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is CC1CCC2(CC1)OC[C@H](C(=O)N1CCCN(C)CC1)N2C(=O)c1ccccc1F.
What is the InChIKey of [(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is ABGGBVFQZCQRCJ-WEQDKIBNSA-N. The full InChI is InChI=1S/C23H32FN3O3/c1-17-8-10-23(11-9-17)27(21(28)18-6-3-4-7-19(18)24)20(16-30-23)22(29)26-13-5-12-25(2)14-15-26/h3-4,6-7,17,20H,5,8-16H2,1-2H3/t17?,20-,23?/m1/s1.
What are the key properties of [(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 417.53 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 93019308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).