1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C21H32N4O2 — CID 110092922

IUPAC1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(=O)N1CCN(c2cc(C)nc(C3CCCN3C(=O)C(C)(C)C)c2)CC1
InChIInChI=1S/C21H32N4O2/c1-15-13-17(24-11-9-23(10-12-24)16(2)26)14-18(22-15)19-7-6-8-25(19)20(27)21(3,4)5/h13-14,19H,6-12H2,1-5H3
InChIKeyRIZIQGYWZZNOKS-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.77
Rot. Bonds2

About 1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 110092922) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID110092922
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(=O)N1CCN(c2cc(C)nc(C3CCCN3C(=O)C(C)(C)C)c2)CC1
InChIInChI=1S/C21H32N4O2/c1-15-13-17(24-11-9-23(10-12-24)16(2)26)14-18(22-15)19-7-6-8-25(19)20(27)21(3,4)5/h13-14,19H,6-12H2,1-5H3
InChIKeyRIZIQGYWZZNOKS-UHFFFAOYSA-N
XLogP2.77
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-2-methylpropan-1-one
CID 92619873
1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619920
1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92619845
1-[4-[2-methyl-6-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619790
N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 110260474
1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92619883
2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 92619680
1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 110260425
1-[(2R)-2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 92619780
[2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110260421
3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid
CID 66510103
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 110092922) is 1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CC(=O)N1CCN(c2cc(C)nc(C3CCCN3C(=O)C(C)(C)C)c2)CC1.
What is the InChIKey of 1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is RIZIQGYWZZNOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-15-13-17(24-11-9-23(10-12-24)16(2)26)14-18(22-15)19-7-6-8-25(19)20(27)21(3,4)5/h13-14,19H,6-12H2,1-5H3.
What are the key properties of 1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 372.51 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 110092922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).