3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide

C19H24BrN3O2S — CID 30737783

IUPAC3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C19H24BrN3O2S/c1-25-17-5-3-2-4-16(17)21-19(24)8-9-22-10-12-23(13-11-22)14-15-6-7-18(20)26-15/h2-7H,8-14H2,1H3,(H,21,24)
InChIKeyRARPOBHDDVSASG-UHFFFAOYSA-N
MW438.39 g/mol
LogP3.67
Rot. Bonds7

About 3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide

3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 30737783) has the molecular formula C19H24BrN3O2S and a molecular weight of 438.39 g/mol. Its IUPAC name is 3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID30737783
Molecular FormulaC19H24BrN3O2S
Molecular Weight438.39 g/mol
Exact Mass437.08
IUPAC Name3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C19H24BrN3O2S/c1-25-17-5-3-2-4-16(17)21-19(24)8-9-22-10-12-23(13-11-22)14-15-6-7-18(20)26-15/h2-7H,8-14H2,1H3,(H,21,24)
InChIKeyRARPOBHDDVSASG-UHFFFAOYSA-N
XLogP3.67
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 30738035
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3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
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3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
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3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide;hydrochloride
CID 44782286
N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 60501821
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CID 87015722
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 56525571
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide (CID 30737783) is 3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCN1CCN(Cc2ccc(Br)s2)CC1.
What is the InChIKey of 3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is RARPOBHDDVSASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2S/c1-25-17-5-3-2-4-16(17)21-19(24)8-9-22-10-12-23(13-11-22)14-15-6-7-18(20)26-15/h2-7H,8-14H2,1H3,(H,21,24).
What are the key properties of 3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 438.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 30737783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).