1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea

C13H21N3O4 — CID 112994194

IUPAC1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea
SMILESO=C(NCC(=O)N1CCC2(CC1)OCCO2)NC1CC1
InChIInChI=1S/C13H21N3O4/c17-11(9-14-12(18)15-10-1-2-10)16-5-3-13(4-6-16)19-7-8-20-13/h10H,1-9H2,(H2,14,15,18)
InChIKeyOIWVGROPFSECRH-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.19
Rot. Bonds3

About 1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea

1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea (PubChem CID 112994194) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea
PubChem CID112994194
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea
SMILESO=C(NCC(=O)N1CCC2(CC1)OCCO2)NC1CC1
InChIInChI=1S/C13H21N3O4/c17-11(9-14-12(18)15-10-1-2-10)16-5-3-13(4-6-16)19-7-8-20-13/h10H,1-9H2,(H2,14,15,18)
InChIKeyOIWVGROPFSECRH-UHFFFAOYSA-N
XLogP-0.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea with MolForge

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Related Compounds

1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 47277900
1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 84515833
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941979
ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate
CID 110305640
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylpropylamino)ethanone
CID 108993208
3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109013639
8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112994198
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95598578
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
CID 54422172
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea
CID 130752274
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide
CID 108941596
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone
CID 102852261

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea (CID 112994194) is 1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea is O=C(NCC(=O)N1CCC2(CC1)OCCO2)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea?
The InChIKey is OIWVGROPFSECRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c17-11(9-14-12(18)15-10-1-2-10)16-5-3-13(4-6-16)19-7-8-20-13/h10H,1-9H2,(H2,14,15,18).
What are the key properties of 1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea?
1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea has a molecular weight of 283.33 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea is sourced from PubChem (CID 112994194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).