2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one

C19H21ClN2O3S — CID 75463774

IUPAC2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C19H21ClN2O3S/c1-19(2,25-16-5-3-4-15(20)12-16)18(24)22-9-7-21(8-10-22)17(23)14-6-11-26-13-14/h3-6,11-13H,7-10H2,1-2H3
InChIKeyYJPCFNNECKFSPT-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.54
Rot. Bonds4

About 2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one

2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 75463774) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID75463774
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C19H21ClN2O3S/c1-19(2,25-16-5-3-4-15(20)12-16)18(24)22-9-7-21(8-10-22)17(23)14-6-11-26-13-14/h3-6,11-13H,7-10H2,1-2H3
InChIKeyYJPCFNNECKFSPT-UHFFFAOYSA-N
XLogP3.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
CID 110346370
1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one
CID 110346348
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 46478996
2-(3-chlorophenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110023182
2-(3-chlorophenoxy)-2-methylpropanoate
CID 7686050
1-[3-[4-(thiophene-3-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]ethanone
CID 137337558
2-(4-chlorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 7551162
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
2-(3-chlorophenoxy)-2-methyl-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 97069948
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
CID 110346352
2-amino-1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119747881

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one (CID 75463774) is 2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one is CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is YJPCFNNECKFSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-19(2,25-16-5-3-4-15(20)12-16)18(24)22-9-7-21(8-10-22)17(23)14-6-11-26-13-14/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one?
2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 392.91 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 75463774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).