1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea

C14H20BrN3O — CID 6468110

IUPAC1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O/c15-12-4-6-13(7-5-12)17-14(19)16-8-11-18-9-2-1-3-10-18/h4-7H,1-3,8-11H2,(H2,16,17,19)
InChIKeyBQCOZCVEXIEDMR-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.06
Rot. Bonds4

About 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea

1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 6468110) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID6468110
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O/c15-12-4-6-13(7-5-12)17-14(19)16-8-11-18-9-2-1-3-10-18/h4-7H,1-3,8-11H2,(H2,16,17,19)
InChIKeyBQCOZCVEXIEDMR-UHFFFAOYSA-N
XLogP3.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Metobromuron
CID 18290
N-(4-Bromophenyl)urea
CID 16074
N-(4-Bromophenyl)-N'-methylurea
CID 152311
3-(4-Bromophenyl)-1,1-dimethylurea
CID 18870
3-(4-Bromophenyl)-1,1-diethylurea
CID 735609
1-((4-Bromophenyl)carbamoyl)piperidine
CID 694497
N-phenylpiperazine-1-carboxamide hydrochloride
CID 16265344
1-(4-Bromophenyl)-3-phenylurea
CID 598833
N-(4-Bromophenyl)-2-(1-piperidinyl)acetamide
CID 326998
1-(4-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3713930
1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea
CID 10177660
1-(2-bromophenyl)-3-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]urea
CID 10294155

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea (CID 6468110) is 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea is O=C(NCCN1CCCCC1)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is BQCOZCVEXIEDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c15-12-4-6-13(7-5-12)17-14(19)16-8-11-18-9-2-1-3-10-18/h4-7H,1-3,8-11H2,(H2,16,17,19).
What are the key properties of 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea?
1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 326.24 g/mol, XLogP of 3.06, 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-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 6468110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).