1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea

C12H21N3O2 — CID 84515833

IUPAC1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCCCC1)NC1CCC1
InChIInChI=1S/C12H21N3O2/c16-11(15-7-2-1-3-8-15)9-13-12(17)14-10-5-4-6-10/h10H,1-9H2,(H2,13,14,17)
InChIKeyXGIQEIVKPCPMTE-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.85
Rot. Bonds3

About 1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea

1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea (PubChem CID 84515833) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
PubChem CID84515833
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCCCC1)NC1CCC1
InChIInChI=1S/C12H21N3O2/c16-11(15-7-2-1-3-8-15)9-13-12(17)14-10-5-4-6-10/h10H,1-9H2,(H2,13,14,17)
InChIKeyXGIQEIVKPCPMTE-UHFFFAOYSA-N
XLogP0.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 47277900
1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea
CID 112991840
1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 119354365
1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 119412871
1-[2-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 99776111
1-cyclohexyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119115673
3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157282
1-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 120659500
N-cyclopropyl-2-[(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 43401871
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 119664203
ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate
CID 110305640
N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941929

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea (CID 84515833) is 1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea is O=C(NCC(=O)N1CCCCC1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea?
The InChIKey is XGIQEIVKPCPMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-11(15-7-2-1-3-8-15)9-13-12(17)14-10-5-4-6-10/h10H,1-9H2,(H2,13,14,17).
What are the key properties of 1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea?
1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea has a molecular weight of 239.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 84515833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).