2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C20H25BrN4O4 — CID 37406662

IUPAC2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCN(c3ccc(Br)cn3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H25BrN4O4/c1-27-16-10-15(11-17(28-2)20(16)29-3)23-19(26)13-24-6-8-25(9-7-24)18-5-4-14(21)12-22-18/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,26)
InChIKeyNHHNMAOWOAJXCA-UHFFFAOYSA-N
MW465.35 g/mol
LogP2.63
Rot. Bonds7

About 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 37406662) has the molecular formula C20H25BrN4O4 and a molecular weight of 465.35 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID37406662
Molecular FormulaC20H25BrN4O4
Molecular Weight465.35 g/mol
Exact Mass464.11
IUPAC Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCN(c3ccc(Br)cn3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H25BrN4O4/c1-27-16-10-15(11-17(28-2)20(16)29-3)23-19(26)13-24-6-8-25(9-7-24)18-5-4-14(21)12-22-18/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,26)
InChIKeyNHHNMAOWOAJXCA-UHFFFAOYSA-N
XLogP2.63
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 17490881
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 37406488
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 37406520
2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2653964
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 10070201
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 46429199
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27214639
3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 37408790
N-(6-piperidin-1-yl-3-pyridinyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17446568
N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467505
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 37406824

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 37406662) is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN2CCN(c3ccc(Br)cn3)CC2)cc(OC)c1OC.
What is the InChIKey of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is NHHNMAOWOAJXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O4/c1-27-16-10-15(11-17(28-2)20(16)29-3)23-19(26)13-24-6-8-25(9-7-24)18-5-4-14(21)12-22-18/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 465.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 37406662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).