(3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C17H22N2O3 — CID 131691328

IUPAC(3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C(C1CC(O)C1)N1CC2CC1CC2OCc1cccnc1
InChIInChI=1S/C17H22N2O3/c20-15-5-12(6-15)17(21)19-9-13-4-14(19)7-16(13)22-10-11-2-1-3-18-8-11/h1-3,8,12-16,20H,4-7,9-10H2
InChIKeyJOCLQOOCEOTBFP-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.36
Rot. Bonds4

About (3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone

(3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 131691328) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID131691328
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C(C1CC(O)C1)N1CC2CC1CC2OCc1cccnc1
InChIInChI=1S/C17H22N2O3/c20-15-5-12(6-15)17(21)19-9-13-4-14(19)7-16(13)22-10-11-2-1-3-18-8-11/h1-3,8,12-16,20H,4-7,9-10H2
InChIKeyJOCLQOOCEOTBFP-UHFFFAOYSA-N
XLogP1.36
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1S,4R,5R)-5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptane-2-carbonyl]benzonitrile
CID 124784272
3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one
CID 98779521
4-oxo-4-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]butanoic acid
CID 98779519
5-methoxy-N-(pyridin-3-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155840705
2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid
CID 159765233
(3aS,6aR)-2-(pyridin-3-ylmethoxycarbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylic acid
CID 167951875
[(7S,8aR)-7-(pyridin-3-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 97377973
(1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane
CID 129269369
(3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 131686523
N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide
CID 125240073
1-[(3aR,7aS)-4-(pyridin-3-ylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methoxyethanone
CID 127023842
1-(5-prop-2-enoxy-2-azabicyclo[2.2.1]heptan-2-yl)-3-pyrimidin-5-ylpropan-1-one
CID 131683948

Frequently Asked Questions

What is the IUPAC name of (3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of (3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 131691328) is (3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for (3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for (3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone is O=C(C1CC(O)C1)N1CC2CC1CC2OCc1cccnc1.
What is the InChIKey of (3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is JOCLQOOCEOTBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-15-5-12(6-15)17(21)19-9-13-4-14(19)7-16(13)22-10-11-2-1-3-18-8-11/h1-3,8,12-16,20H,4-7,9-10H2.
What are the key properties of (3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
(3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 302.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 131691328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).