8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane

C17H24N2O — CID 118746332

IUPAC8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(C2COC3(CCN(CC4CC4)CC3)C2)c1
InChIInChI=1S/C17H24N2O/c1-2-15(11-18-7-1)16-10-17(20-13-16)5-8-19(9-6-17)12-14-3-4-14/h1-2,7,11,14,16H,3-6,8-10,12-13H2
InChIKeyMRGUTOOQBFMAPF-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.83
Rot. Bonds3

About 8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane

8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118746332) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID118746332
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(C2COC3(CCN(CC4CC4)CC3)C2)c1
InChIInChI=1S/C17H24N2O/c1-2-15(11-18-7-1)16-10-17(20-13-16)5-8-19(9-6-17)12-14-3-4-14/h1-2,7,11,14,16H,3-6,8-10,12-13H2
InChIKeyMRGUTOOQBFMAPF-UHFFFAOYSA-N
XLogP2.83
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 97394818
(3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371135
8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118745893
(3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane
CID 97371169
(3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 97395020
8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131645469
(3S)-3-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371170
(3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97371627
8-(cyclopropylmethyl)-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131646294
9-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 134071300
(5S)-9-(cyclopropylmethyl)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97485813
8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
CID 134071181

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane (CID 118746332) is 8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane is c1cncc(C2COC3(CCN(CC4CC4)CC3)C2)c1.
What is the InChIKey of 8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is MRGUTOOQBFMAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-15(11-18-7-1)16-10-17(20-13-16)5-8-19(9-6-17)12-14-3-4-14/h1-2,7,11,14,16H,3-6,8-10,12-13H2.
What are the key properties of 8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 272.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118746332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).