2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone

C19H27N3O2 — CID 124940322

IUPAC2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCC(=O)N1CCN(CC(=O)N2CCCCC2)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-16(23)21-12-13-22(15-19(24)20-10-6-3-7-11-20)18(14-21)17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3/t18-/m0/s1
InChIKeyAFJJJAVTKKSLQZ-SFHVURJKSA-N
MW329.44 g/mol
LogP1.90
Rot. Bonds3

About 2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone

2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 124940322) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID124940322
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCC(=O)N1CCN(CC(=O)N2CCCCC2)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-16(23)21-12-13-22(15-19(24)20-10-6-3-7-11-20)18(14-21)17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3/t18-/m0/s1
InChIKeyAFJJJAVTKKSLQZ-SFHVURJKSA-N
XLogP1.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124969488
1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125008540
1-[(3R)-3-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 125008142
1-[3-phenyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]ethanone
CID 110109188
1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125014450
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
CID 125013501
1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 124953208
1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
CID 124941396
1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
CID 110098224
1-[(3R)-3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 124974764
1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 110098235

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone (CID 124940322) is 2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone is CC(=O)N1CCN(CC(=O)N2CCCCC2)[C@H](c2ccccc2)C1.
What is the InChIKey of 2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is AFJJJAVTKKSLQZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-16(23)21-12-13-22(15-19(24)20-10-6-3-7-11-20)18(14-21)17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3/t18-/m0/s1.
What are the key properties of 2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone?
2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 329.44 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 124940322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).