1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea

C11H22N4O2 — CID 82511592

IUPAC1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea
SMILESCCC(C(=O)N1CCNCC1)N(C)C(=O)NC
InChIInChI=1S/C11H22N4O2/c1-4-9(14(3)11(17)12-2)10(16)15-7-5-13-6-8-15/h9,13H,4-8H2,1-3H3,(H,12,17)
InChIKeyZAMOMRLKARTZBE-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.53
Rot. Bonds3

About 1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea

1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea (PubChem CID 82511592) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea
PubChem CID82511592
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea
SMILESCCC(C(=O)N1CCNCC1)N(C)C(=O)NC
InChIInChI=1S/C11H22N4O2/c1-4-9(14(3)11(17)12-2)10(16)15-7-5-13-6-8-15/h9,13H,4-8H2,1-3H3,(H,12,17)
InChIKeyZAMOMRLKARTZBE-UHFFFAOYSA-N
XLogP-0.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea
CID 82510029
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea
CID 82510100
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 82508777
N-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 16791160
(2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione
CID 58010631
2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 28708756
1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one
CID 70596014
3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea
CID 68710672
2-ethoxy-3-oxo-3-piperazin-1-ylpropanal
CID 173294879
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea?
The IUPAC name of 1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea (CID 82511592) is 1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea?
The canonical SMILES for 1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea is CCC(C(=O)N1CCNCC1)N(C)C(=O)NC.
What is the InChIKey of 1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea?
The InChIKey is ZAMOMRLKARTZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-4-9(14(3)11(17)12-2)10(16)15-7-5-13-6-8-15/h9,13H,4-8H2,1-3H3,(H,12,17).
What are the key properties of 1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea?
1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea has a molecular weight of 242.32 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea is sourced from PubChem (CID 82511592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).