9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C18H28FN3O — CID 135374711

IUPAC9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCOC2(CCN(CCc3ncccc3F)CC2)C1
InChIInChI=1S/C18H28FN3O/c1-15(2)22-12-13-23-18(14-22)6-10-21(11-7-18)9-5-17-16(19)4-3-8-20-17/h3-4,8,15H,5-7,9-14H2,1-2H3
InChIKeyLDHNDZSCTIAFQJ-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.34
Rot. Bonds4

About 9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 135374711) has the molecular formula C18H28FN3O and a molecular weight of 321.44 g/mol. Its IUPAC name is 9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID135374711
Molecular FormulaC18H28FN3O
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC Name9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCOC2(CCN(CCc3ncccc3F)CC2)C1
InChIInChI=1S/C18H28FN3O/c1-15(2)22-12-13-23-18(14-22)6-10-21(11-7-18)9-5-17-16(19)4-3-8-20-17/h3-4,8,15H,5-7,9-14H2,1-2H3
InChIKeyLDHNDZSCTIAFQJ-UHFFFAOYSA-N
XLogP2.34
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 135374711) is 9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is CC(C)N1CCOC2(CCN(CCc3ncccc3F)CC2)C1.
What is the InChIKey of 9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is LDHNDZSCTIAFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O/c1-15(2)22-12-13-23-18(14-22)6-10-21(11-7-18)9-5-17-16(19)4-3-8-20-17/h3-4,8,15H,5-7,9-14H2,1-2H3.
What are the key properties of 9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 321.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-fluoro-2-pyridinyl)ethyl]-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 135374711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).