2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea

C11H22N4O2 — CID 83114839

IUPAC2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea
SMILESCC(C)NC1CCCN(CCNC(N)=O)C1=O
InChIInChI=1S/C11H22N4O2/c1-8(2)14-9-4-3-6-15(10(9)16)7-5-13-11(12)17/h8-9,14H,3-7H2,1-2H3,(H3,12,13,17)
InChIKeyWFYCQGHIYNWAFY-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.36
Rot. Bonds5

About 2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea

2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea (PubChem CID 83114839) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea.

Molecular Properties

Compound Name2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea
PubChem CID83114839
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea
SMILESCC(C)NC1CCCN(CCNC(N)=O)C1=O
InChIInChI=1S/C11H22N4O2/c1-8(2)14-9-4-3-6-15(10(9)16)7-5-13-11(12)17/h8-9,14H,3-7H2,1-2H3,(H3,12,13,17)
InChIKeyWFYCQGHIYNWAFY-UHFFFAOYSA-N
XLogP-0.36
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea?
The IUPAC name of 2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea (CID 83114839) is 2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea.
What is the SMILES notation for 2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea?
The canonical SMILES for 2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea is CC(C)NC1CCCN(CCNC(N)=O)C1=O.
What is the InChIKey of 2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea?
The InChIKey is WFYCQGHIYNWAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-8(2)14-9-4-3-6-15(10(9)16)7-5-13-11(12)17/h8-9,14H,3-7H2,1-2H3,(H3,12,13,17).
What are the key properties of 2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea?
2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea has a molecular weight of 242.32 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea is sourced from PubChem (CID 83114839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).