[(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone

C26H27ClFN3O5 — CID 93136845

IUPAC[(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Cl)c1)N1CCC2(CC1)OC[C@H](C(=O)N1CCOCC1)N2C(=O)c1ccc(F)cc1
InChIInChI=1S/C26H27ClFN3O5/c27-20-3-1-2-19(16-20)23(32)29-10-8-26(9-11-29)31(24(33)18-4-6-21(28)7-5-18)22(17-36-26)25(34)30-12-14-35-15-13-30/h1-7,16,22H,8-15,17H2/t22-/m1/s1
InChIKeyCLJBLLKAFKCYBO-JOCHJYFZSA-N
MW515.97 g/mol
LogP2.81
Rot. Bonds3

About [(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone

[(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone (PubChem CID 93136845) has the molecular formula C26H27ClFN3O5 and a molecular weight of 515.97 g/mol. Its IUPAC name is [(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
PubChem CID93136845
Molecular FormulaC26H27ClFN3O5
Molecular Weight515.97 g/mol
Exact Mass515.16
IUPAC Name[(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Cl)c1)N1CCC2(CC1)OC[C@H](C(=O)N1CCOCC1)N2C(=O)c1ccc(F)cc1
InChIInChI=1S/C26H27ClFN3O5/c27-20-3-1-2-19(16-20)23(32)29-10-8-26(9-11-29)31(24(33)18-4-6-21(28)7-5-18)22(17-36-26)25(34)30-12-14-35-15-13-30/h1-7,16,22H,8-15,17H2/t22-/m1/s1
InChIKeyCLJBLLKAFKCYBO-JOCHJYFZSA-N
XLogP2.81
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.97
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-4,8-bis(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 93137608
[8-(2-fluorobenzoyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 42820973
[(3R)-8-(3-chlorobenzoyl)-4-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 93137886
(3R)-8-(3-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138602
1-[4-[(3S)-4-(3-chlorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperazin-1-yl]ethanone
CID 93144477
[8-(1,3-benzodioxole-5-carbonyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 42820824
(3R)-4-benzoyl-8-(3-chlorobenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137336
[8-(2,6-dimethoxybenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 42820826
(3S)-N-benzyl-8-(4-chlorobenzoyl)-4-(3-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 98421037
(3R)-4-benzoyl-8-(3-chlorobenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137342
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
8-(4-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821257

Frequently Asked Questions

What is the IUPAC name of [(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone (CID 93136845) is [(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone is O=C(c1cccc(Cl)c1)N1CCC2(CC1)OC[C@H](C(=O)N1CCOCC1)N2C(=O)c1ccc(F)cc1.
What is the InChIKey of [(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CLJBLLKAFKCYBO-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27ClFN3O5/c27-20-3-1-2-19(16-20)23(32)29-10-8-26(9-11-29)31(24(33)18-4-6-21(28)7-5-18)22(17-36-26)25(34)30-12-14-35-15-13-30/h1-7,16,22H,8-15,17H2/t22-/m1/s1.
What are the key properties of [(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
[(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone has a molecular weight of 515.97 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 93136845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).