3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C24H27FN4O4 — CID 110151941

IUPAC3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C(c1ccnc(N2CCOCC2)c1)N1CCCC2(CC1)CN(c1cccc(F)c1)C(=O)O2
InChIInChI=1S/C24H27FN4O4/c25-19-3-1-4-20(16-19)29-17-24(33-23(29)31)6-2-9-28(10-7-24)22(30)18-5-8-26-21(15-18)27-11-13-32-14-12-27/h1,3-5,8,15-16H,2,6-7,9-14,17H2
InChIKeyCKDHENYJMGUZKU-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.08
Rot. Bonds3

About 3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 110151941) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID110151941
Molecular FormulaC24H27FN4O4
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C(c1ccnc(N2CCOCC2)c1)N1CCCC2(CC1)CN(c1cccc(F)c1)C(=O)O2
InChIInChI=1S/C24H27FN4O4/c25-19-3-1-4-20(16-19)29-17-24(33-23(29)31)6-2-9-28(10-7-24)22(30)18-5-8-26-21(15-18)27-11-13-32-14-12-27/h1,3-5,8,15-16H,2,6-7,9-14,17H2
InChIKeyCKDHENYJMGUZKU-UHFFFAOYSA-N
XLogP3.08
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-9-(4-benzyloxane-4-carbonyl)-3-(3-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 124997373
3-(3-fluorophenyl)-9-[2-(pyrazol-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 132772757
3-(3-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 155986489
4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986315
(5S)-7-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125018428
4-(3-fluorophenyl)-10-(6-methylpyridine-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986326
4-(3-fluorophenyl)-10-(1-methylimidazole-2-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986285
4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985951
3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56773862
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one
CID 154567960
9-(3-fluorophenyl)-2-(2-methylpyrimidine-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 155986120

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 110151941) is 3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C(c1ccnc(N2CCOCC2)c1)N1CCCC2(CC1)CN(c1cccc(F)c1)C(=O)O2.
What is the InChIKey of 3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is CKDHENYJMGUZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4/c25-19-3-1-4-20(16-19)29-17-24(33-23(29)31)6-2-9-28(10-7-24)22(30)18-5-8-26-21(15-18)27-11-13-32-14-12-27/h1,3-5,8,15-16H,2,6-7,9-14,17H2.
What are the key properties of 3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 454.50 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 110151941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).