1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea

C15H22ClN3O — CID 6467880

IUPAC1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)NCCN1CCCCC1
InChIInChI=1S/C15H22ClN3O/c1-12-5-6-13(16)11-14(12)18-15(20)17-7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10H2,1H3,(H2,17,18,20)
InChIKeyDSMMXQSDBIIMFN-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.26
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea

1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 6467880) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID6467880
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)NCCN1CCCCC1
InChIInChI=1S/C15H22ClN3O/c1-12-5-6-13(16)11-14(12)18-15(20)17-7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10H2,1H3,(H2,17,18,20)
InChIKeyDSMMXQSDBIIMFN-UHFFFAOYSA-N
XLogP3.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea (CID 6467880) is 1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea is Cc1ccc(Cl)cc1NC(=O)NCCN1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is DSMMXQSDBIIMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-12-5-6-13(16)11-14(12)18-15(20)17-7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea?
1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 295.81 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 6467880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).