2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide

C14H21BrN4O — CID 129075200

IUPAC2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C14H21BrN4O/c1-11(2)17-14(20)10-18-3-5-19(6-4-18)13-7-12(15)8-16-9-13/h7-9,11H,3-6,10H2,1-2H3,(H,17,20)
InChIKeyUKBCYMYEEFSHHS-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.49
Rot. Bonds4

About 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 129075200) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID129075200
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C14H21BrN4O/c1-11(2)17-14(20)10-18-3-5-19(6-4-18)13-7-12(15)8-16-9-13/h7-9,11H,3-6,10H2,1-2H3,(H,17,20)
InChIKeyUKBCYMYEEFSHHS-UHFFFAOYSA-N
XLogP1.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 129075134
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 134043822
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
2-[4-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 177144442
1-(5-bromo-3-pyridinyl)-4-propylpiperazine
CID 115657003
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol
CID 71871118
1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 112695175
2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 45284394
5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223207
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
N-[(2S)-butan-2-yl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 95980361

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 129075200) is 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(c2cncc(Br)c2)CC1.
What is the InChIKey of 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is UKBCYMYEEFSHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-11(2)17-14(20)10-18-3-5-19(6-4-18)13-7-12(15)8-16-9-13/h7-9,11H,3-6,10H2,1-2H3,(H,17,20).
What are the key properties of 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 341.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 129075200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).