2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide

C16H23BrN4O2 — CID 134043822

IUPAC2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C16H23BrN4O2/c1-3-12(2)19-15(22)11-20-4-6-21(7-5-20)16(23)13-8-14(17)10-18-9-13/h8-10,12H,3-7,11H2,1-2H3,(H,19,22)
InChIKeyUTSIDHFPJOZSGS-UHFFFAOYSA-N
MW383.29 g/mol
LogP1.52
Rot. Bonds5

About 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide

2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide (PubChem CID 134043822) has the molecular formula C16H23BrN4O2 and a molecular weight of 383.29 g/mol. Its IUPAC name is 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
PubChem CID134043822
Molecular FormulaC16H23BrN4O2
Molecular Weight383.29 g/mol
Exact Mass382.10
IUPAC Name2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C16H23BrN4O2/c1-3-12(2)19-15(22)11-20-4-6-21(7-5-20)16(23)13-8-14(17)10-18-9-13/h8-10,12H,3-7,11H2,1-2H3,(H,19,22)
InChIKeyUTSIDHFPJOZSGS-UHFFFAOYSA-N
XLogP1.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17499455
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 51206875
N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 134043905
N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 55885110
N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
(5-bromo-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43393801
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011992
N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide
CID 134043760
2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 129075200
N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 55564403
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 61150398

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide?
The IUPAC name of 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide (CID 134043822) is 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1.
What is the InChIKey of 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide?
The InChIKey is UTSIDHFPJOZSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4O2/c1-3-12(2)19-15(22)11-20-4-6-21(7-5-20)16(23)13-8-14(17)10-18-9-13/h8-10,12H,3-7,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide?
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide has a molecular weight of 383.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide is sourced from PubChem (CID 134043822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).