1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone

C23H28N4O2 — CID 92619845

IUPAC1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3ccccc3)CC2)cc(C)n1
InChIInChI=1S/C23H28N4O2/c1-17-15-20(16-21(24-17)22-9-6-10-27(22)18(2)28)25-11-13-26(14-12-25)23(29)19-7-4-3-5-8-19/h3-5,7-8,15-16,22H,6,9-14H2,1-2H3/t22-/m1/s1
InChIKeyGBNRBNAFPPWZDY-JOCHJYFZSA-N
MW392.50 g/mol
LogP3.04
Rot. Bonds3

About 1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 92619845) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID92619845
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3ccccc3)CC2)cc(C)n1
InChIInChI=1S/C23H28N4O2/c1-17-15-20(16-21(24-17)22-9-6-10-27(22)18(2)28)25-11-13-26(14-12-25)23(29)19-7-4-3-5-8-19/h3-5,7-8,15-16,22H,6,9-14H2,1-2H3/t22-/m1/s1
InChIKeyGBNRBNAFPPWZDY-JOCHJYFZSA-N
XLogP3.04
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92619883
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-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619790
1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110092922
N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 110260474
1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619920
2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 92619680
1-[(2R)-2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 92619780
1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 110260425
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
3-[6-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]benzoic acid
CID 110120260
3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid
CID 66510103

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 92619845) is 1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3ccccc3)CC2)cc(C)n1.
What is the InChIKey of 1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is GBNRBNAFPPWZDY-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-15-20(16-21(24-17)22-9-6-10-27(22)18(2)28)25-11-13-26(14-12-25)23(29)19-7-4-3-5-8-19/h3-5,7-8,15-16,22H,6,9-14H2,1-2H3/t22-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 392.50 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 92619845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).