oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C20H29N3O2 — CID 133144937

IUPACoxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC2(CCCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C20H29N3O2/c24-19(17-5-12-25-13-6-17)23-11-8-20(16-23)7-3-10-22(15-20)14-18-4-1-2-9-21-18/h1-2,4,9,17H,3,5-8,10-16H2
InChIKeyFIHNGJIJEVLEDY-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.32
Rot. Bonds3

About oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 133144937) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID133144937
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Nameoxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC2(CCCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C20H29N3O2/c24-19(17-5-12-25-13-6-17)23-11-8-20(16-23)7-3-10-22(15-20)14-18-4-1-2-9-21-18/h1-2,4,9,17H,3,5-8,10-16H2
InChIKeyFIHNGJIJEVLEDY-UHFFFAOYSA-N
XLogP2.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone with MolForge

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Related Compounds

[(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450456
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450463
2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131652843
oxolan-3-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 134077446
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 97450038
2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 131651444
[(3R)-oxolan-3-yl]-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450798
9-cyclopropylsulfonyl-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 97450461
3,3,3-trifluoro-1-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 97450451
2-[(6S)-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]acetic acid
CID 97495025

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 133144937) is oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is O=C(C1CCOCC1)N1CCC2(CCCN(Cc3ccccn3)C2)C1.
What is the InChIKey of oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is FIHNGJIJEVLEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(17-5-12-25-13-6-17)23-11-8-20(16-23)7-3-10-22(15-20)14-18-4-1-2-9-21-18/h1-2,4,9,17H,3,5-8,10-16H2.
What are the key properties of oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 343.47 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 133144937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).