2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone

C20H30N4O2 — CID 95971662

IUPAC2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
SMILESCC(=O)c1cccnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C20H30N4O2/c1-15-11-16(2)13-24(12-15)19(26)14-22-7-9-23(10-8-22)20-18(17(3)25)5-4-6-21-20/h4-6,15-16H,7-14H2,1-3H3/t15-,16+
InChIKeyFRNIHLKGNKMBHH-IYBDPMFKSA-N
MW358.49 g/mol
LogP1.91
Rot. Bonds4

About 2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone

2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone (PubChem CID 95971662) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
PubChem CID95971662
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
SMILESCC(=O)c1cccnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C20H30N4O2/c1-15-11-16(2)13-24(12-15)19(26)14-22-7-9-23(10-8-22)20-18(17(3)25)5-4-6-21-20/h4-6,15-16H,7-14H2,1-3H3/t15-,16+
InChIKeyFRNIHLKGNKMBHH-IYBDPMFKSA-N
XLogP1.91
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 39999948
(3,5-dimethylpiperidin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575076
(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576814
[2-(azepan-1-yl)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 84576964
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
CID 124544976
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 103721831
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 94447840
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
CID 52515429
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 127682976
1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone
CID 103721776

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone (CID 95971662) is 2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone is CC(=O)c1cccnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1.
What is the InChIKey of 2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone?
The InChIKey is FRNIHLKGNKMBHH-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-15-11-16(2)13-24(12-15)19(26)14-22-7-9-23(10-8-22)20-18(17(3)25)5-4-6-21-20/h4-6,15-16H,7-14H2,1-3H3/t15-,16+.
What are the key properties of 2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone?
2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone has a molecular weight of 358.49 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 95971662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).