(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

C19H28N4O2 — CID 9276559

IUPAC(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(=O)N1CCN([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C19H28N4O2/c1-16(20-8-10-21(11-9-20)17(2)24)19(25)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h3-7,16H,8-15H2,1-2H3/t16-/m1/s1
InChIKeyHLFNVGZFRMWPDD-MRXNPFEDSA-N
MW344.46 g/mol
LogP0.89
Rot. Bonds3

About (2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 9276559) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID9276559
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(=O)N1CCN([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C19H28N4O2/c1-16(20-8-10-21(11-9-20)17(2)24)19(25)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h3-7,16H,8-15H2,1-2H3/t16-/m1/s1
InChIKeyHLFNVGZFRMWPDD-MRXNPFEDSA-N
XLogP0.89
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 46571664
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276554
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 92984644
(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32735224
[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248828
1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 78754651
(2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9432303
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 9276559) is (2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one is CC(=O)N1CCN([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of (2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is HLFNVGZFRMWPDD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-16(20-8-10-21(11-9-20)17(2)24)19(25)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h3-7,16H,8-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 344.46 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 9276559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).