[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea

C12H24N4O2 — CID 60634818

IUPAC[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
SMILESCC(C)CC(NC(N)=O)C(=O)N1CCN(C)CC1
InChIInChI=1S/C12H24N4O2/c1-9(2)8-10(14-12(13)18)11(17)16-6-4-15(3)5-7-16/h9-10H,4-8H2,1-3H3,(H3,13,14,18)
InChIKeyMIOFDIJTJKNNMP-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.16
Rot. Bonds4

About [4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea

[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea (PubChem CID 60634818) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is [4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
PubChem CID60634818
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
SMILESCC(C)CC(NC(N)=O)C(=O)N1CCN(C)CC1
InChIInChI=1S/C12H24N4O2/c1-9(2)8-10(14-12(13)18)11(17)16-6-4-15(3)5-7-16/h9-10H,4-8H2,1-3H3,(H3,13,14,18)
InChIKeyMIOFDIJTJKNNMP-UHFFFAOYSA-N
XLogP-0.16
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]propanamide
CID 110285648
[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 106837135
N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 110285714
[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 62918442
[(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 31615823
(2R,3R)-3-[[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
CID 88678897
[(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 9204321
3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
CID 110285675
1-(4-chlorophenyl)-3-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
CID 110285689
(3R)-1-[2-(carbamoylamino)-4-methylpentanoyl]piperidine-3-carboxylic acid
CID 81119735
N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide
CID 155056024
1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63144705

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea?
The IUPAC name of [4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea (CID 60634818) is [4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea.
What is the SMILES notation for [4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea?
The canonical SMILES for [4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea is CC(C)CC(NC(N)=O)C(=O)N1CCN(C)CC1.
What is the InChIKey of [4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea?
The InChIKey is MIOFDIJTJKNNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-9(2)8-10(14-12(13)18)11(17)16-6-4-15(3)5-7-16/h9-10H,4-8H2,1-3H3,(H3,13,14,18).
What are the key properties of [4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea?
[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea has a molecular weight of 256.35 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea is sourced from PubChem (CID 60634818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).