1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea

C25H27Cl2N3O2 — CID 20908150

IUPAC1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CN(C(=O)Nc2cc(Cl)ccc2Cl)C2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C25H27Cl2N3O2/c1-18-7-9-22(32-18)17-30(25(31)28-24-15-20(26)8-10-23(24)27)21-11-13-29(14-12-21)16-19-5-3-2-4-6-19/h2-10,15,21H,11-14,16-17H2,1H3,(H,28,31)
InChIKeyACKCNJKOWBFJFB-UHFFFAOYSA-N
MW472.42 g/mol
LogP6.59
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea

1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 20908150) has the molecular formula C25H27Cl2N3O2 and a molecular weight of 472.42 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID20908150
Molecular FormulaC25H27Cl2N3O2
Molecular Weight472.42 g/mol
Exact Mass471.15
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CN(C(=O)Nc2cc(Cl)ccc2Cl)C2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C25H27Cl2N3O2/c1-18-7-9-22(32-18)17-30(25(31)28-24-15-20(26)8-10-23(24)27)21-11-13-29(14-12-21)16-19-5-3-2-4-6-19/h2-10,15,21H,11-14,16-17H2,1H3,(H,28,31)
InChIKeyACKCNJKOWBFJFB-UHFFFAOYSA-N
XLogP6.59
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.42
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea with MolForge

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 20908160
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1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea
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1-(1-benzylpiperidin-4-yl)-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703394
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1-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylsulfanylphenyl)urea
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1-(1-benzylpiperidin-4-yl)-1-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)urea
CID 42702435
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137
N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea (CID 20908150) is 1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea is Cc1ccc(CN(C(=O)Nc2cc(Cl)ccc2Cl)C2CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is ACKCNJKOWBFJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N3O2/c1-18-7-9-22(32-18)17-30(25(31)28-24-15-20(26)8-10-23(24)27)21-11-13-29(14-12-21)16-19-5-3-2-4-6-19/h2-10,15,21H,11-14,16-17H2,1H3,(H,28,31).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 472.42 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 20908150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).