1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea

C9H20N4O — CID 59006454

IUPAC1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCNC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C9H20N4O/c1-10-9(14)11-3-4-13-7-5-12(2)6-8-13/h3-8H2,1-2H3,(H2,10,11,14)
InChIKeyPZKKWWZQBWBGSV-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.84
Rot. Bonds3

About 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea

1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea (PubChem CID 59006454) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
PubChem CID59006454
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCNC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C9H20N4O/c1-10-9(14)11-3-4-13-7-5-12(2)6-8-13/h3-8H2,1-2H3,(H2,10,11,14)
InChIKeyPZKKWWZQBWBGSV-UHFFFAOYSA-N
XLogP-0.84
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043
1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 117235833
1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-3-methylurea
CID 77059127
N-[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl iodide
CID 138462768
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 54861073
N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide
CID 112724016
ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 156869233
N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide
CID 134583067
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-piperidin-3-ylurea
CID 117235825

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea (CID 59006454) is 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea is CNC(=O)NCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The InChIKey is PZKKWWZQBWBGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-10-9(14)11-3-4-13-7-5-12(2)6-8-13/h3-8H2,1-2H3,(H2,10,11,14).
What are the key properties of 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea has a molecular weight of 200.29 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 59006454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).