1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea

C18H20BrN3O3 — CID 78874680

IUPAC1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
SMILESCc1ccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1Br
InChIInChI=1S/C18H20BrN3O3/c1-12-2-3-15(10-16(12)19)21-18(24)20-14-4-7-22(8-5-14)17(23)13-6-9-25-11-13/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H2,20,21,24)
InChIKeyZZABXEYZNDTQJA-UHFFFAOYSA-N
MW406.28 g/mol
LogP3.78
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea

1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea (PubChem CID 78874680) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
PubChem CID78874680
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC Name1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
SMILESCc1ccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1Br
InChIInChI=1S/C18H20BrN3O3/c1-12-2-3-15(10-16(12)19)21-18(24)20-14-4-7-22(8-5-14)17(23)13-6-9-25-11-13/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H2,20,21,24)
InChIKeyZZABXEYZNDTQJA-UHFFFAOYSA-N
XLogP3.78
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea
CID 55696964
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 38212968
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 30711914
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 38199392
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 38216371
(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563275

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea (CID 78874680) is 1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea is Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea?
The InChIKey is ZZABXEYZNDTQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c1-12-2-3-15(10-16(12)19)21-18(24)20-14-4-7-22(8-5-14)17(23)13-6-9-25-11-13/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H2,20,21,24).
What are the key properties of 1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea?
1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea has a molecular weight of 406.28 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 78874680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).