[2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea

C13H21N5O2 — CID 70751512

IUPAC[2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCCn1ccnc1C1CCN(C(=O)CNC(N)=O)CC1
InChIInChI=1S/C13H21N5O2/c1-2-17-8-5-15-12(17)10-3-6-18(7-4-10)11(19)9-16-13(14)20/h5,8,10H,2-4,6-7,9H2,1H3,(H3,14,16,20)
InChIKeyWWCOIIVUVIRPQB-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.28
Rot. Bonds4

About [2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea

[2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 70751512) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea
PubChem CID70751512
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name[2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCCn1ccnc1C1CCN(C(=O)CNC(N)=O)CC1
InChIInChI=1S/C13H21N5O2/c1-2-17-8-5-15-12(17)10-3-6-18(7-4-10)11(19)9-16-13(14)20/h5,8,10H,2-4,6-7,9H2,1H3,(H3,14,16,20)
InChIKeyWWCOIIVUVIRPQB-UHFFFAOYSA-N
XLogP0.28
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea (CID 70751512) is [2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea is CCn1ccnc1C1CCN(C(=O)CNC(N)=O)CC1.
What is the InChIKey of [2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is WWCOIIVUVIRPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-2-17-8-5-15-12(17)10-3-6-18(7-4-10)11(19)9-16-13(14)20/h5,8,10H,2-4,6-7,9H2,1H3,(H3,14,16,20).
What are the key properties of [2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea?
[2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 279.34 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 70751512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).