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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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).