1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea

C12H21N3O3 — CID 136543336

IUPAC1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea
SMILESCN(C)C(=O)NC1CCC(=O)NC1C1CCCO1
InChIInChI=1S/C12H21N3O3/c1-15(2)12(17)13-8-5-6-10(16)14-11(8)9-4-3-7-18-9/h8-9,11H,3-7H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyMVCMWATZNMVMGQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.08
Rot. Bonds2

About 1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea

1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea (PubChem CID 136543336) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea
PubChem CID136543336
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea
SMILESCN(C)C(=O)NC1CCC(=O)NC1C1CCCO1
InChIInChI=1S/C12H21N3O3/c1-15(2)12(17)13-8-5-6-10(16)14-11(8)9-4-3-7-18-9/h8-9,11H,3-7H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyMVCMWATZNMVMGQ-UHFFFAOYSA-N
XLogP0.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea (CID 136543336) is 1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea is CN(C)C(=O)NC1CCC(=O)NC1C1CCCO1.
What is the InChIKey of 1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea?
The InChIKey is MVCMWATZNMVMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-15(2)12(17)13-8-5-6-10(16)14-11(8)9-4-3-7-18-9/h8-9,11H,3-7H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of 1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea?
1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea has a molecular weight of 255.32 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea is sourced from PubChem (CID 136543336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).