(2-oxopiperidin-3-yl)urea

C6H11N3O2 — CID 62093454

IUPAC(2-oxopiperidin-3-yl)urea
SMILESNC(=O)NC1CCCNC1=O
InChIInChI=1S/C6H11N3O2/c7-6(11)9-4-2-1-3-8-5(4)10/h4H,1-3H2,(H,8,10)(H3,7,9,11)
InChIKeySSCJZKYHDJAREM-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.07
Rot. Bonds1

About (2-oxopiperidin-3-yl)urea

(2-oxopiperidin-3-yl)urea (PubChem CID 62093454) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name(2-oxopiperidin-3-yl)urea
PubChem CID62093454
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(2-oxopiperidin-3-yl)urea
SMILESNC(=O)NC1CCCNC1=O
InChIInChI=1S/C6H11N3O2/c7-6(11)9-4-2-1-3-8-5(4)10/h4H,1-3H2,(H,8,10)(H3,7,9,11)
InChIKeySSCJZKYHDJAREM-UHFFFAOYSA-N
XLogP-1.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-oxopiperidin-3-yl)urea?
The IUPAC name of (2-oxopiperidin-3-yl)urea (CID 62093454) is (2-oxopiperidin-3-yl)urea.
What is the SMILES notation for (2-oxopiperidin-3-yl)urea?
The canonical SMILES for (2-oxopiperidin-3-yl)urea is NC(=O)NC1CCCNC1=O.
What is the InChIKey of (2-oxopiperidin-3-yl)urea?
The InChIKey is SSCJZKYHDJAREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-6(11)9-4-2-1-3-8-5(4)10/h4H,1-3H2,(H,8,10)(H3,7,9,11).
What are the key properties of (2-oxopiperidin-3-yl)urea?
(2-oxopiperidin-3-yl)urea has a molecular weight of 157.17 g/mol, XLogP of -1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopiperidin-3-yl)urea is sourced from PubChem (CID 62093454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).