[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone

C19H27N3O2 — CID 124803616

IUPAC[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC[C@]2(CCCN2Cc2cccnc2)C1
InChIInChI=1S/C19H27N3O2/c23-18(17-6-2-12-24-17)21-10-3-7-19(15-21)8-4-11-22(19)14-16-5-1-9-20-13-16/h1,5,9,13,17H,2-4,6-8,10-12,14-15H2/t17-,19+/m1/s1
InChIKeyYYIJXDFCNSPPBH-MJGOQNOKSA-N
MW329.44 g/mol
LogP2.22
Rot. Bonds3

About [(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone

[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone (PubChem CID 124803616) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
PubChem CID124803616
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC[C@]2(CCCN2Cc2cccnc2)C1
InChIInChI=1S/C19H27N3O2/c23-18(17-6-2-12-24-17)21-10-3-7-19(15-21)8-4-11-22(19)14-16-5-1-9-20-13-16/h1,5,9,13,17H,2-4,6-8,10-12,14-15H2/t17-,19+/m1/s1
InChIKeyYYIJXDFCNSPPBH-MJGOQNOKSA-N
XLogP2.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97473214
pyrazin-2-yl-[(5S)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97481969
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
(5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97393244
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 97481962
oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 47024168
cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
CID 134789983
[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155868249
(1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone
CID 119895647
(3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134078359
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone (CID 124803616) is [(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone is O=C([C@H]1CCCO1)N1CCC[C@]2(CCCN2Cc2cccnc2)C1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone?
The InChIKey is YYIJXDFCNSPPBH-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(17-6-2-12-24-17)21-10-3-7-19(15-21)8-4-11-22(19)14-16-5-1-9-20-13-16/h1,5,9,13,17H,2-4,6-8,10-12,14-15H2/t17-,19+/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone?
[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone has a molecular weight of 329.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 124803616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).