1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea

C22H26BrN3O3 — CID 20908059

IUPAC1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CN(C(=O)Nc2cccc(Br)c2)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C22H26BrN3O3/c1-16(27)25-12-10-20(11-13-25)26(15-17-6-8-21(29-2)9-7-17)22(28)24-19-5-3-4-18(23)14-19/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,28)
InChIKeyMYOSZKFKLQFROC-UHFFFAOYSA-N
MW460.37 g/mol
LogP4.50
Rot. Bonds5

About 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea

1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea (PubChem CID 20908059) has the molecular formula C22H26BrN3O3 and a molecular weight of 460.37 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea
PubChem CID20908059
Molecular FormulaC22H26BrN3O3
Molecular Weight460.37 g/mol
Exact Mass459.12
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CN(C(=O)Nc2cccc(Br)c2)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C22H26BrN3O3/c1-16(27)25-12-10-20(11-13-25)26(15-17-6-8-21(29-2)9-7-17)22(28)24-19-5-3-4-18(23)14-19/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,28)
InChIKeyMYOSZKFKLQFROC-UHFFFAOYSA-N
XLogP4.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea with MolForge

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Related Compounds

1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978714
1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080116
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
3-(3-bromophenyl)-1-cyclopropyl-1-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 4305546
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea
CID 3236787
3-(3-bromophenyl)-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea
CID 108870165
3-(3-acetylphenyl)-1-[(4-methoxyphenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 125164540
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea (CID 20908059) is 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea is COc1ccc(CN(C(=O)Nc2cccc(Br)c2)C2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea?
The InChIKey is MYOSZKFKLQFROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O3/c1-16(27)25-12-10-20(11-13-25)26(15-17-6-8-21(29-2)9-7-17)22(28)24-19-5-3-4-18(23)14-19/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,28).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea?
1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea has a molecular weight of 460.37 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 20908059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).