1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea

C9H18N4O3 — CID 82510100

IUPAC1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea
SMILESCNC(=O)NC(CO)C(=O)N1CCNCC1
InChIInChI=1S/C9H18N4O3/c1-10-9(16)12-7(6-14)8(15)13-4-2-11-3-5-13/h7,11,14H,2-6H2,1H3,(H2,10,12,16)
InChIKeyYHJIJQGPVSIPMV-UHFFFAOYSA-N
MW230.27 g/mol
LogP-2.29
Rot. Bonds3

About 1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea

1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea (PubChem CID 82510100) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea
PubChem CID82510100
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea
SMILESCNC(=O)NC(CO)C(=O)N1CCNCC1
InChIInChI=1S/C9H18N4O3/c1-10-9(16)12-7(6-14)8(15)13-4-2-11-3-5-13/h7,11,14H,2-6H2,1H3,(H2,10,12,16)
InChIKeyYHJIJQGPVSIPMV-UHFFFAOYSA-N
XLogP-2.29
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea?
The IUPAC name of 1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea (CID 82510100) is 1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea.
What is the SMILES notation for 1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea?
The canonical SMILES for 1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea is CNC(=O)NC(CO)C(=O)N1CCNCC1.
What is the InChIKey of 1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea?
The InChIKey is YHJIJQGPVSIPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-10-9(16)12-7(6-14)8(15)13-4-2-11-3-5-13/h7,11,14H,2-6H2,1H3,(H2,10,12,16).
What are the key properties of 1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea?
1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea has a molecular weight of 230.27 g/mol, XLogP of -2.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea is sourced from PubChem (CID 82510100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).