3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H24FN3O3 — CID 22248288

IUPAC3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ncccc1CN1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2
InChIInChI=1S/C21H24FN3O3/c1-27-19-17(6-4-10-23-19)13-24-11-8-21(9-12-24)15-25(20(26)28-21)14-16-5-2-3-7-18(16)22/h2-7,10H,8-9,11-15H2,1H3
InChIKeyBDORPERMJPBFCM-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.22
Rot. Bonds5

About 3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 22248288) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID22248288
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ncccc1CN1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2
InChIInChI=1S/C21H24FN3O3/c1-27-19-17(6-4-10-23-19)13-24-11-8-21(9-12-24)15-25(20(26)28-21)14-16-5-2-3-7-18(16)22/h2-7,10H,8-9,11-15H2,1H3
InChIKeyBDORPERMJPBFCM-UHFFFAOYSA-N
XLogP3.22
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901933
8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11992888
9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155830849
4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135113041
9-[(2-methoxy-3-pyridinyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 118747101
benzyl 9-[(2-methoxy-3-pyridinyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 134807667
7-[(2-methoxy-3-pyridinyl)methyl]-3-phenoxy-1-oxa-7-azaspiro[4.4]nonane
CID 134071071
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one
CID 72935022
(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97474145
(4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98776992
8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70723568

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 22248288) is 3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COc1ncccc1CN1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BDORPERMJPBFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-27-19-17(6-4-10-23-19)13-24-11-8-21(9-12-24)15-25(20(26)28-21)14-16-5-2-3-7-18(16)22/h2-7,10H,8-9,11-15H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 385.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 22248288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).