1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea

C16H24ClN3O2 — CID 971845

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C16H24ClN3O2/c1-3-8-20-9-6-13(7-10-20)18-16(21)19-14-11-12(17)4-5-15(14)22-2/h4-5,11,13H,3,6-10H2,1-2H3,(H2,18,19,21)
InChIKeyFBAINJLRWWLDHM-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.34
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea (PubChem CID 971845) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
PubChem CID971845
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C16H24ClN3O2/c1-3-8-20-9-6-13(7-10-20)18-16(21)19-14-11-12(17)4-5-15(14)22-2/h4-5,11,13H,3,6-10H2,1-2H3,(H2,18,19,21)
InChIKeyFBAINJLRWWLDHM-UHFFFAOYSA-N
XLogP3.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea (CID 971845) is 1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea is CCCN1CCC(NC(=O)Nc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
The InChIKey is FBAINJLRWWLDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-3-8-20-9-6-13(7-10-20)18-16(21)19-14-11-12(17)4-5-15(14)22-2/h4-5,11,13H,3,6-10H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea has a molecular weight of 325.84 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea is sourced from PubChem (CID 971845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).