1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea

C15H22BrN3O — CID 6467005

IUPAC1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrN3O/c1-2-9-19-10-7-14(8-11-19)18-15(20)17-13-5-3-12(16)4-6-13/h3-6,14H,2,7-11H2,1H3,(H2,17,18,20)
InChIKeySEARIDCROLOZEX-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.44
Rot. Bonds4

About 1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea

1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea (PubChem CID 6467005) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea
PubChem CID6467005
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrN3O/c1-2-9-19-10-7-14(8-11-19)18-15(20)17-13-5-3-12(16)4-6-13/h3-6,14H,2,7-11H2,1H3,(H2,17,18,20)
InChIKeySEARIDCROLOZEX-UHFFFAOYSA-N
XLogP3.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea (CID 6467005) is 1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea is CCCN1CCC(NC(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea?
The InChIKey is SEARIDCROLOZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-9-19-10-7-14(8-11-19)18-15(20)17-13-5-3-12(16)4-6-13/h3-6,14H,2,7-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea?
1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea has a molecular weight of 340.26 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(1-propylpiperidin-4-yl)urea is sourced from PubChem (CID 6467005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).