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

C19H29N3O — CID 131652843

IUPAC2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESc1ccc(CN2CCCC3(CCN(C4CCOCC4)C3)C2)nc1
InChIInChI=1S/C19H29N3O/c1-2-9-20-17(4-1)14-21-10-3-7-19(15-21)8-11-22(16-19)18-5-12-23-13-6-18/h1-2,4,9,18H,3,5-8,10-16H2
InChIKeyQQBHDXGLDLKFTA-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.55
Rot. Bonds3

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

2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 131652843) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
PubChem CID131652843
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESc1ccc(CN2CCCC3(CCN(C4CCOCC4)C3)C2)nc1
InChIInChI=1S/C19H29N3O/c1-2-9-20-17(4-1)14-21-10-3-7-19(15-21)8-11-22(16-19)18-5-12-23-13-6-18/h1-2,4,9,18H,3,5-8,10-16H2
InChIKeyQQBHDXGLDLKFTA-UHFFFAOYSA-N
XLogP2.55
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-4-yl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131657279
3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450333
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
oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 133144937
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450463
[(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450456
9-cyclopropylsulfonyl-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 97450461
(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97370344
2-(pyridin-2-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640300
(5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
CID 97482743
(5R)-2-[(3S)-oxolan-3-yl]-7-pyridin-2-yl-2,7-diazaspiro[4.5]decane
CID 98777895

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane (CID 131652843) is 2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane is c1ccc(CN2CCCC3(CCN(C4CCOCC4)C3)C2)nc1.
What is the InChIKey of 2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is QQBHDXGLDLKFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-9-20-17(4-1)14-21-10-3-7-19(15-21)8-11-22(16-19)18-5-12-23-13-6-18/h1-2,4,9,18H,3,5-8,10-16H2.
What are the key properties of 2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 315.46 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 131652843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).