2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

C22H28BrN5O2 — CID 46429199

IUPAC2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccc(Br)cn2)CC1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H28BrN5O2/c23-19-3-6-21(24-15-19)28-9-7-26(8-10-28)17-22(29)25-20-4-1-18(2-5-20)16-27-11-13-30-14-12-27/h1-6,15H,7-14,16-17H2,(H,25,29)
InChIKeyQEFARFXEGRABGD-UHFFFAOYSA-N
MW474.40 g/mol
LogP2.44
Rot. Bonds6

About 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 46429199) has the molecular formula C22H28BrN5O2 and a molecular weight of 474.40 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID46429199
Molecular FormulaC22H28BrN5O2
Molecular Weight474.40 g/mol
Exact Mass473.14
IUPAC Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccc(Br)cn2)CC1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H28BrN5O2/c23-19-3-6-21(24-15-19)28-9-7-26(8-10-28)17-22(29)25-20-4-1-18(2-5-20)16-27-11-13-30-14-12-27/h1-6,15H,7-14,16-17H2,(H,25,29)
InChIKeyQEFARFXEGRABGD-UHFFFAOYSA-N
XLogP2.44
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 37406520
N-(5-bromo-2-pyridinyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195869
2-(4-aminopiperidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119908408
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 37406662
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 37406824
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-[4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 122157779
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 37407972
3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 37408790
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 46429199) is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is O=C(CN1CCN(c2ccc(Br)cn2)CC1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is QEFARFXEGRABGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN5O2/c23-19-3-6-21(24-15-19)28-9-7-26(8-10-28)17-22(29)25-20-4-1-18(2-5-20)16-27-11-13-30-14-12-27/h1-6,15H,7-14,16-17H2,(H,25,29).
What are the key properties of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 474.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 46429199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).