(2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one

C15H18Cl2N2O3 — CID 95286382

IUPAC(2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one
SMILESCC(=O)N1CCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H18Cl2N2O3/c1-10(22-14-8-12(16)7-13(17)9-14)15(21)19-5-3-18(4-6-19)11(2)20/h7-10H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyKHVTUYKDBSIGCO-JTQLQIEISA-N
MW345.23 g/mol
LogP2.45
Rot. Bonds3

About (2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one

(2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one (PubChem CID 95286382) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is (2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one
PubChem CID95286382
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name(2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one
SMILESCC(=O)N1CCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H18Cl2N2O3/c1-10(22-14-8-12(16)7-13(17)9-14)15(21)19-5-3-18(4-6-19)11(2)20/h7-10H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyKHVTUYKDBSIGCO-JTQLQIEISA-N
XLogP2.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 95165980
1-[(2S)-2-(3,5-dichlorophenoxy)propanoyl]-1,4-diazepan-5-one
CID 99773786
2-(3,5-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647802
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
CID 86925844
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxypropan-1-one
CID 78841438
(3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
CID 95167870
2-(4-chloro-3,5-dimethylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 2969657
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 112765505

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one?
The IUPAC name of (2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one (CID 95286382) is (2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one.
What is the SMILES notation for (2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one?
The canonical SMILES for (2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one is CC(=O)N1CCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of (2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one?
The InChIKey is KHVTUYKDBSIGCO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-10(22-14-8-12(16)7-13(17)9-14)15(21)19-5-3-18(4-6-19)11(2)20/h7-10H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one?
(2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one has a molecular weight of 345.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one is sourced from PubChem (CID 95286382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).