1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone

C20H24ClN3OS — CID 25409790

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@@H]1c1cccs1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3OS/c21-16-4-1-5-17(14-16)22-9-11-23(12-10-22)20(25)15-24-8-2-6-18(24)19-7-3-13-26-19/h1,3-5,7,13-14,18H,2,6,8-12,15H2/t18-/m1/s1
InChIKeyTVYORWMBEHMXEO-GOSISDBHSA-N
MW389.95 g/mol
LogP3.89
Rot. Bonds4

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone (PubChem CID 25409790) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
PubChem CID25409790
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@@H]1c1cccs1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3OS/c21-16-4-1-5-17(14-16)22-9-11-23(12-10-22)20(25)15-24-8-2-6-18(24)19-7-3-13-26-19/h1,3-5,7,13-14,18H,2,6,8-12,15H2/t18-/m1/s1
InChIKeyTVYORWMBEHMXEO-GOSISDBHSA-N
XLogP3.89
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 17424096
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 124776383
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 41292185
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17414280
1-(3-chlorophenyl)-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazole-5-thione
CID 9244747
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 47010546
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 98706638
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 42950439
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 16909259
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51339468

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone (CID 25409790) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone is O=C(CN1CCC[C@@H]1c1cccs1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The InChIKey is TVYORWMBEHMXEO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24ClN3OS/c21-16-4-1-5-17(14-16)22-9-11-23(12-10-22)20(25)15-24-8-2-6-18(24)19-7-3-13-26-19/h1,3-5,7,13-14,18H,2,6,8-12,15H2/t18-/m1/s1.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone has a molecular weight of 389.95 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 25409790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).