1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea

C16H32N4O2 — CID 71850983

IUPAC1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
SMILESCOCCC1(CNC(=O)NCC2CN(C)CCN2C)CCC1
InChIInChI=1S/C16H32N4O2/c1-19-8-9-20(2)14(12-19)11-17-15(21)18-13-16(5-4-6-16)7-10-22-3/h14H,4-13H2,1-3H3,(H2,17,18,21)
InChIKeyPONKMZMAPMYMKW-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.74
Rot. Bonds7

About 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea (PubChem CID 71850983) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
PubChem CID71850983
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
SMILESCOCCC1(CNC(=O)NCC2CN(C)CCN2C)CCC1
InChIInChI=1S/C16H32N4O2/c1-19-8-9-20(2)14(12-19)11-17-15(21)18-13-16(5-4-6-16)7-10-22-3/h14H,4-13H2,1-3H3,(H2,17,18,21)
InChIKeyPONKMZMAPMYMKW-UHFFFAOYSA-N
XLogP0.74
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea
CID 71976500
1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123170
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
CID 63896961
1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 97062806
3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
CID 122010715
1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006584
2-(cyclopropylmethylamino)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 114112932
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
2-(2-methoxyethylamino)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]acetamide
CID 119812143
1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71918772
3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide
CID 126785969
1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
CID 131892063

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea?
The IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea (CID 71850983) is 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea?
The canonical SMILES for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea is COCCC1(CNC(=O)NCC2CN(C)CCN2C)CCC1.
What is the InChIKey of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea?
The InChIKey is PONKMZMAPMYMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-19-8-9-20(2)14(12-19)11-17-15(21)18-13-16(5-4-6-16)7-10-22-3/h14H,4-13H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea?
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea has a molecular weight of 312.46 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea is sourced from PubChem (CID 71850983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).