[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea

C8H16N4O2 — CID 127518835

IUPAC[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
SMILESCN1CCN(C(=O)CNC(N)=O)CC1
InChIInChI=1S/C8H16N4O2/c1-11-2-4-12(5-3-11)7(13)6-10-8(9)14/h2-6H2,1H3,(H3,9,10,14)
InChIKeyBMDBTWIRIFNKEL-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.57
Rot. Bonds2

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

[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea (PubChem CID 127518835) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is [2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
PubChem CID127518835
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
SMILESCN1CCN(C(=O)CNC(N)=O)CC1
InChIInChI=1S/C8H16N4O2/c1-11-2-4-12(5-3-11)7(13)6-10-8(9)14/h2-6H2,1H3,(H3,9,10,14)
InChIKeyBMDBTWIRIFNKEL-UHFFFAOYSA-N
XLogP-1.57
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 163549649
(2S)-2-amino-3-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 119849548
2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 62273146
2-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 110605936
4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride
CID 120564659
1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone
CID 110605960
[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea
CID 130608897
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
(2S)-2-amino-3,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]butanamide;dihydrochloride
CID 119849543
[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea
CID 126989063
4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide
CID 110615202
4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide
CID 110605973

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea?
The IUPAC name of [2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea (CID 127518835) is [2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea.
What is the SMILES notation for [2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea?
The canonical SMILES for [2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea is CN1CCN(C(=O)CNC(N)=O)CC1.
What is the InChIKey of [2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea?
The InChIKey is BMDBTWIRIFNKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-11-2-4-12(5-3-11)7(13)6-10-8(9)14/h2-6H2,1H3,(H3,9,10,14).
What are the key properties of [2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea?
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea has a molecular weight of 200.24 g/mol, XLogP of -1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea is sourced from PubChem (CID 127518835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).