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

C19H30FN3O — CID 135374724

IUPAC(2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1C[C@H](C)OC2(CCN(CCc3ncccc3F)CC2)C1
InChIInChI=1S/C19H30FN3O/c1-15(2)23-13-16(3)24-19(14-23)7-11-22(12-8-19)10-6-18-17(20)5-4-9-21-18/h4-5,9,15-16H,6-8,10-14H2,1-3H3/t16-/m0/s1
InChIKeyWQCJCAKEZOWSDE-INIZCTEOSA-N
MW335.47 g/mol
LogP2.73
Rot. Bonds4

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

(2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 135374724) has the molecular formula C19H30FN3O and a molecular weight of 335.47 g/mol. Its IUPAC name is (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID135374724
Molecular FormulaC19H30FN3O
Molecular Weight335.47 g/mol
Exact Mass335.24
IUPAC Name(2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1C[C@H](C)OC2(CCN(CCc3ncccc3F)CC2)C1
InChIInChI=1S/C19H30FN3O/c1-15(2)23-13-16(3)24-19(14-23)7-11-22(12-8-19)10-6-18-17(20)5-4-9-21-18/h4-5,9,15-16H,6-8,10-14H2,1-3H3/t16-/m0/s1
InChIKeyWQCJCAKEZOWSDE-INIZCTEOSA-N
XLogP2.73
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 135374724) is (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is CC(C)N1C[C@H](C)OC2(CCN(CCc3ncccc3F)CC2)C1.
What is the InChIKey of (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is WQCJCAKEZOWSDE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-15(2)23-13-16(3)24-19(14-23)7-11-22(12-8-19)10-6-18-17(20)5-4-9-21-18/h4-5,9,15-16H,6-8,10-14H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
(2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 335.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 135374724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).