1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea

C12H21N3O2 — CID 110472697

IUPAC1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea
SMILESO=C(NC1CCCCC1)NC1CCCNC1=O
InChIInChI=1S/C12H21N3O2/c16-11-10(7-4-8-13-11)15-12(17)14-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,13,16)(H2,14,15,17)
InChIKeyLKLYUUXZHOXJRN-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.90
Rot. Bonds2

About 1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea

1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea (PubChem CID 110472697) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea
PubChem CID110472697
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea
SMILESO=C(NC1CCCCC1)NC1CCCNC1=O
InChIInChI=1S/C12H21N3O2/c16-11-10(7-4-8-13-11)15-12(17)14-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,13,16)(H2,14,15,17)
InChIKeyLKLYUUXZHOXJRN-UHFFFAOYSA-N
XLogP0.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea (CID 110472697) is 1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea is O=C(NC1CCCCC1)NC1CCCNC1=O.
What is the InChIKey of 1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea?
The InChIKey is LKLYUUXZHOXJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-11-10(7-4-8-13-11)15-12(17)14-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,13,16)(H2,14,15,17).
What are the key properties of 1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea?
1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea has a molecular weight of 239.32 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea is sourced from PubChem (CID 110472697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).