1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea

C14H20ClN3O — CID 114695150

IUPAC1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
SMILESCc1ccc(NC(=O)NC2CCCNC2C)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9-5-6-11(8-12(9)15)17-14(19)18-13-4-3-7-16-10(13)2/h5-6,8,10,13,16H,3-4,7H2,1-2H3,(H2,17,18,19)
InChIKeyCENWWONGYKOHIJ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.91
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea

1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea (PubChem CID 114695150) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
PubChem CID114695150
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
SMILESCc1ccc(NC(=O)NC2CCCNC2C)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9-5-6-11(8-12(9)15)17-14(19)18-13-4-3-7-16-10(13)2/h5-6,8,10,13,16H,3-4,7H2,1-2H3,(H2,17,18,19)
InChIKeyCENWWONGYKOHIJ-UHFFFAOYSA-N
XLogP2.91
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79043190
1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79044134
1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
CID 63321445
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 120574013
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-(3-chloro-4-methylphenyl)-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794048
2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide
CID 120574011
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea (CID 114695150) is 1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea is Cc1ccc(NC(=O)NC2CCCNC2C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea?
The InChIKey is CENWWONGYKOHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9-5-6-11(8-12(9)15)17-14(19)18-13-4-3-7-16-10(13)2/h5-6,8,10,13,16H,3-4,7H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea?
1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea has a molecular weight of 281.79 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea is sourced from PubChem (CID 114695150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).