(3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C19H27N3O4 — CID 131680558

IUPAC(3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CC(O)C1)N1CCC2(CCOCC2COc2cnccn2)CC1
InChIInChI=1S/C19H27N3O4/c23-16-9-14(10-16)18(24)22-6-1-19(2-7-22)3-8-25-12-15(19)13-26-17-11-20-4-5-21-17/h4-5,11,14-16,23H,1-3,6-10,12-13H2
InChIKeyAOTXNTIUXWAHAE-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.27
Rot. Bonds4

About (3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

(3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 131680558) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID131680558
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CC(O)C1)N1CCC2(CCOCC2COc2cnccn2)CC1
InChIInChI=1S/C19H27N3O4/c23-16-9-14(10-16)18(24)22-6-1-19(2-7-22)3-8-25-12-15(19)13-26-17-11-20-4-5-21-17/h4-5,11,14-16,23H,1-3,6-10,12-13H2
InChIKeyAOTXNTIUXWAHAE-UHFFFAOYSA-N
XLogP1.27
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97475928
cyclopent-3-en-1-yl-[5-(pyridin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131661809
cyclopent-3-en-1-yl-[(5S)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97476184
(5R)-9-(furan-3-ylmethyl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97483738
2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 131647418
2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155836455
(5R)-9-methylsulfonyl-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97475976
[(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone
CID 97418737
(5S)-9-(cyclopropylmethyl)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97485813
[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone
CID 131660406
1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 97418516
9-(pyridin-4-ylmethyl)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 131662657

Frequently Asked Questions

What is the IUPAC name of (3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 131680558) is (3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is O=C(C1CC(O)C1)N1CCC2(CCOCC2COc2cnccn2)CC1.
What is the InChIKey of (3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is AOTXNTIUXWAHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c23-16-9-14(10-16)18(24)22-6-1-19(2-7-22)3-8-25-12-15(19)13-26-17-11-20-4-5-21-17/h4-5,11,14-16,23H,1-3,6-10,12-13H2.
What are the key properties of (3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
(3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 361.44 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 131680558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).