N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide

C16H24N4O2 — CID 134049016

IUPACN-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C16H24N4O2/c1-3-13(2)18-15(21)12-19-8-10-20(11-9-19)16(22)14-6-4-5-7-17-14/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyOXWFAWRUYQDCRN-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.75
Rot. Bonds5

About N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 134049016) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID134049016
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C16H24N4O2/c1-3-13(2)18-15(21)12-19-8-10-20(11-9-19)16(22)14-6-4-5-7-17-14/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyOXWFAWRUYQDCRN-UHFFFAOYSA-N
XLogP0.75
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 55762083
[4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 55201001
N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 55563907
N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
N-butan-2-yl-2-[4-[1-(4-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]acetamide
CID 86985701
N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 134043905
N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide
CID 77011807
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide
CID 134043760
N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 99838420
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 112841348
N-butan-2-yl-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55563997

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide (CID 134049016) is N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is OXWFAWRUYQDCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-13(2)18-15(21)12-19-8-10-20(11-9-19)16(22)14-6-4-5-7-17-14/h4-7,13H,3,8-12H2,1-2H3,(H,18,21).
What are the key properties of N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 134049016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).