1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

C15H22N4O2 — CID 84570333

IUPAC1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(NC(C)C)n2)CC1
InChIInChI=1S/C15H22N4O2/c1-11(2)16-14-6-4-5-13(17-14)15(21)19-9-7-18(8-10-19)12(3)20/h4-6,11H,7-10H2,1-3H3,(H,16,17)
InChIKeySHUVRVAPVDVRNX-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.21
Rot. Bonds3

About 1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 84570333) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID84570333
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(NC(C)C)n2)CC1
InChIInChI=1S/C15H22N4O2/c1-11(2)16-14-6-4-5-13(17-14)15(21)19-9-7-18(8-10-19)12(3)20/h4-6,11H,7-10H2,1-3H3,(H,16,17)
InChIKeySHUVRVAPVDVRNX-UHFFFAOYSA-N
XLogP1.21
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 84571130
(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498253
6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093636
3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 84570258
(4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498252
[3-(methoxymethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 106589203
1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109338654
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109097056
(4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498575
piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (CID 84570333) is 1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cccc(NC(C)C)n2)CC1.
What is the InChIKey of 1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is SHUVRVAPVDVRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(2)16-14-6-4-5-13(17-14)15(21)19-9-7-18(8-10-19)12(3)20/h4-6,11H,7-10H2,1-3H3,(H,16,17).
What are the key properties of 1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 290.37 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 84570333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).