cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone

C20H32N2O3 — CID 102553114

IUPACcyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(C(=O)N2CCOC3(CCCCCC3)C2)C1
InChIInChI=1S/C20H32N2O3/c23-18(16-7-8-16)21-11-5-6-17(14-21)19(24)22-12-13-25-20(15-22)9-3-1-2-4-10-20/h16-17H,1-15H2
InChIKeyJOTHLHHHNROPDM-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.59
Rot. Bonds2

About cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone

cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone (PubChem CID 102553114) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone
PubChem CID102553114
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Namecyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(C(=O)N2CCOC3(CCCCCC3)C2)C1
InChIInChI=1S/C20H32N2O3/c23-18(16-7-8-16)21-11-5-6-17(14-21)19(24)22-12-13-25-20(15-22)9-3-1-2-4-10-20/h16-17H,1-15H2
InChIKeyJOTHLHHHNROPDM-UHFFFAOYSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134875
(9-amino-1-oxa-4-azaspiro[5.5]undecan-4-yl)-cyclobutylmethanone
CID 165470181
cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884690
6-oxa-9-azaspiro[4.5]decan-9-yl-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 97232339
6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 97232340
2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide
CID 122134891
[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone
CID 97080385
(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134889
(4,4-difluorocyclohexyl)-(9-imino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 146114590
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone
CID 99838429
1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone
CID 127875131

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone (CID 102553114) is cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCCC(C(=O)N2CCOC3(CCCCCC3)C2)C1.
What is the InChIKey of cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone?
The InChIKey is JOTHLHHHNROPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c23-18(16-7-8-16)21-11-5-6-17(14-21)19(24)22-12-13-25-20(15-22)9-3-1-2-4-10-20/h16-17H,1-15H2.
What are the key properties of cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone?
cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone has a molecular weight of 348.49 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 102553114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).