[(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea

C13H26N4O2 — CID 124725714

IUPAC[(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea
SMILESCCCC[C@H](NC(N)=O)C(=O)N1CCN(C)C[C@H]1C
InChIInChI=1S/C13H26N4O2/c1-4-5-6-11(15-13(14)19)12(18)17-8-7-16(3)9-10(17)2/h10-11H,4-9H2,1-3H3,(H3,14,15,19)/t10-,11+/m1/s1
InChIKeyBKXQIFXVQUBXDU-MNOVXSKESA-N
MW270.38 g/mol
LogP0.38
Rot. Bonds5

About [(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea

[(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea (PubChem CID 124725714) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is [(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea
PubChem CID124725714
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name[(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea
SMILESCCCC[C@H](NC(N)=O)C(=O)N1CCN(C)C[C@H]1C
InChIInChI=1S/C13H26N4O2/c1-4-5-6-11(15-13(14)19)12(18)17-8-7-16(3)9-10(17)2/h10-11H,4-9H2,1-3H3,(H3,14,15,19)/t10-,11+/m1/s1
InChIKeyBKXQIFXVQUBXDU-MNOVXSKESA-N
XLogP0.38
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea with MolForge

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Related Compounds

(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)pentan-1-one
CID 103814592
1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118464
[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride
CID 119649300
3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide
CID 103827811
2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one
CID 103814595
(2S,3S)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one
CID 103833366
3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 112735135
2-[(2,4-dimethylpiperazine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 114086047
[(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea
CID 95603907
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea
CID 120741607
N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide
CID 119475285

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea?
The IUPAC name of [(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea (CID 124725714) is [(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea.
What is the SMILES notation for [(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea?
The canonical SMILES for [(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea is CCCC[C@H](NC(N)=O)C(=O)N1CCN(C)C[C@H]1C.
What is the InChIKey of [(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea?
The InChIKey is BKXQIFXVQUBXDU-MNOVXSKESA-N. The full InChI is InChI=1S/C13H26N4O2/c1-4-5-6-11(15-13(14)19)12(18)17-8-7-16(3)9-10(17)2/h10-11H,4-9H2,1-3H3,(H3,14,15,19)/t10-,11+/m1/s1.
What are the key properties of [(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea?
[(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea has a molecular weight of 270.38 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea is sourced from PubChem (CID 124725714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).