(3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C21H24N2O3 — CID 131692648

IUPAC(3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1cccc(C(=O)N2CC3(CC(OCc4ccncc4)CCO3)C2)c1
InChIInChI=1S/C21H24N2O3/c1-16-3-2-4-18(11-16)20(24)23-14-21(15-23)12-19(7-10-26-21)25-13-17-5-8-22-9-6-17/h2-6,8-9,11,19H,7,10,12-15H2,1H3
InChIKeyDDAOGLCHSJOXLF-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.98
Rot. Bonds4

About (3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131692648) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID131692648
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1cccc(C(=O)N2CC3(CC(OCc4ccncc4)CCO3)C2)c1
InChIInChI=1S/C21H24N2O3/c1-16-3-2-4-18(11-16)20(24)23-14-21(15-23)12-19(7-10-26-21)25-13-17-5-8-22-9-6-17/h2-6,8-9,11,19H,7,10,12-15H2,1H3
InChIKeyDDAOGLCHSJOXLF-UHFFFAOYSA-N
XLogP2.98
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone with MolForge

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Related Compounds

(3,5-dimethylphenyl)-[(8R)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124793361
(3,5-dimethylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155859282
(3-methylphenyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692625
[(8S)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone
CID 124796510
4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
CID 131692918
(3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692889
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918097
imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131693115
(4-methylphenyl)-[(8R)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124821748
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylphenyl)methanone
CID 91918024
(1-methylindol-5-yl)-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692825
(2,6-dimethyl-4-pyridinyl)-[(8S)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124797141

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131692648) is (3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1cccc(C(=O)N2CC3(CC(OCc4ccncc4)CCO3)C2)c1.
What is the InChIKey of (3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is DDAOGLCHSJOXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16-3-2-4-18(11-16)20(24)23-14-21(15-23)12-19(7-10-26-21)25-13-17-5-8-22-9-6-17/h2-6,8-9,11,19H,7,10,12-15H2,1H3.
What are the key properties of (3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
(3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 352.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131692648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).