cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

C20H29N3O2 — CID 134072825

IUPACcyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
SMILESO=C(C1CCCC1)N1CCCC2(COCCN(c3cccnc3)C2)C1
InChIInChI=1S/C20H29N3O2/c24-19(17-5-1-2-6-17)23-10-4-8-20(15-23)14-22(11-12-25-16-20)18-7-3-9-21-13-18/h3,7,9,13,17H,1-2,4-6,8,10-12,14-16H2
InChIKeyFCWOYTPTAYQGDR-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.72
Rot. Bonds2

About cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (PubChem CID 134072825) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
PubChem CID134072825
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Namecyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
SMILESO=C(C1CCCC1)N1CCCC2(COCCN(c3cccnc3)C2)C1
InChIInChI=1S/C20H29N3O2/c24-19(17-5-1-2-6-17)23-10-4-8-20(15-23)14-22(11-12-25-16-20)18-7-3-9-21-13-18/h3,7,9,13,17H,1-2,4-6,8,10-12,14-16H2
InChIKeyFCWOYTPTAYQGDR-UHFFFAOYSA-N
XLogP2.72
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134074141
[(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
CID 97494683
(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone
CID 134072815
pyrazin-2-yl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155853029
[(2R)-oxolan-2-yl]-[(6S)-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494631
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
[(6S)-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone
CID 97372938
[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398115
(6R)-11-pyridin-3-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372839
3-pyridin-3-yl-1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398096
3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 134077551
bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 172702037

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The IUPAC name of cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (CID 134072825) is cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.
What is the SMILES notation for cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The canonical SMILES for cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is O=C(C1CCCC1)N1CCCC2(COCCN(c3cccnc3)C2)C1.
What is the InChIKey of cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The InChIKey is FCWOYTPTAYQGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(17-5-1-2-6-17)23-10-4-8-20(15-23)14-22(11-12-25-16-20)18-7-3-9-21-13-18/h3,7,9,13,17H,1-2,4-6,8,10-12,14-16H2.
What are the key properties of cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone has a molecular weight of 343.47 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is sourced from PubChem (CID 134072825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).