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

C19H30FN3O — CID 135374672

IUPAC(2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCCCN1C[C@H](C)OC2(CCN(CCc3ncccc3F)CC2)C1
InChIInChI=1S/C19H30FN3O/c1-3-10-23-14-16(2)24-19(15-23)7-12-22(13-8-19)11-6-18-17(20)5-4-9-21-18/h4-5,9,16H,3,6-8,10-15H2,1-2H3/t16-/m0/s1
InChIKeyZESLVPUIMGKDNI-INIZCTEOSA-N
MW335.47 g/mol
LogP2.73
Rot. Bonds5

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

(2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 135374672) 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-propyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID135374672
Molecular FormulaC19H30FN3O
Molecular Weight335.47 g/mol
Exact Mass335.24
IUPAC Name(2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCCCN1C[C@H](C)OC2(CCN(CCc3ncccc3F)CC2)C1
InChIInChI=1S/C19H30FN3O/c1-3-10-23-14-16(2)24-19(15-23)7-12-22(13-8-19)11-6-18-17(20)5-4-9-21-18/h4-5,9,16H,3,6-8,10-15H2,1-2H3/t16-/m0/s1
InChIKeyZESLVPUIMGKDNI-INIZCTEOSA-N
XLogP2.73
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

4-(2-(2-Pyridyl)ethyl)morpholine
CID 95909
2-(Morpholinomethyl)-pyridine
CID 269694
12-Ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 118560889
2-Methyl-4-phenyl-9-(2-pyridin-2-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562598
4-[3-(2-Pyridin-2-ylethynyl)cyclohex-2-en-1-yl]morpholine
CID 71454503
4-[[5-(Morpholin-4-ylmethyl)-2-pyridinyl]methyl]morpholine
CID 127044647
US10858373, Example 18
CID 135238474
US10858373, Example 16
CID 135238514
US10858373, Example 21
CID 135251276
US10927128, Example 36
CID 135332712
US10927128, Example 39
CID 135374676
US10927128, Example 42
CID 135374706

Frequently Asked Questions

What is the IUPAC name of (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 135374672) is (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propyl-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-propyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane is CCCN1C[C@H](C)OC2(CCN(CCc3ncccc3F)CC2)C1.
What is the InChIKey of (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is ZESLVPUIMGKDNI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-3-10-23-14-16(2)24-19(15-23)7-12-22(13-8-19)11-6-18-17(20)5-4-9-21-18/h4-5,9,16H,3,6-8,10-15H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane?
(2S)-9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 335.47 g/mol, XLogP of 2.73, 5 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-propyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 135374672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).