1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea

C12H17ClN4O — CID 3626403

IUPAC1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea
SMILESCN1CCN(NC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H17ClN4O/c1-16-6-8-17(9-7-16)15-12(18)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H2,14,15,18)
InChIKeyIHFFEJHUOVPTRN-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.62
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea

1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea (PubChem CID 3626403) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea
PubChem CID3626403
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea
SMILESCN1CCN(NC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H17ClN4O/c1-16-6-8-17(9-7-16)15-12(18)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H2,14,15,18)
InChIKeyIHFFEJHUOVPTRN-UHFFFAOYSA-N
XLogP1.62
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
CID 971253
1-hydroxy-3-(4-methylpiperazin-1-yl)urea
CID 23526196
N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995846
1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea
CID 68882316
1-(4-chlorophenyl)-3-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
CID 110285689
N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140487
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea
CID 7552068
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995872
1-(4-chlorophenyl)-3-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 18578202
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]-2-phenylacetamide
CID 91416412
N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide
CID 108508857

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea (CID 3626403) is 1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea is CN1CCN(NC(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea?
The InChIKey is IHFFEJHUOVPTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-16-6-8-17(9-7-16)15-12(18)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H2,14,15,18).
What are the key properties of 1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea?
1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea has a molecular weight of 268.75 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea is sourced from PubChem (CID 3626403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).