(2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one

C21H27N3OS — CID 25340767

IUPAC(2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C21H27N3OS/c1-17(24-11-5-9-19(24)20-10-6-16-26-20)21(25)23-14-12-22(13-15-23)18-7-3-2-4-8-18/h2-4,6-8,10,16-17,19H,5,9,11-15H2,1H3/t17-,19-/m1/s1
InChIKeyJSLVRTSJDMQJMU-IEBWSBKVSA-N
MW369.53 g/mol
LogP3.62
Rot. Bonds4

About (2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one

(2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 25340767) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is (2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
PubChem CID25340767
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name(2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C21H27N3OS/c1-17(24-11-5-9-19(24)20-10-6-16-26-20)21(25)23-14-12-22(13-15-23)18-7-3-2-4-8-18/h2-4,6-8,10,16-17,19H,5,9,11-15H2,1H3/t17-,19-/m1/s1
InChIKeyJSLVRTSJDMQJMU-IEBWSBKVSA-N
XLogP3.62
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 124719171
(2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446105
(2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944117
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
(2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944077
(2R)-N-pyrimidin-2-yl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124829882
(2R)-N-(4-propan-2-ylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944107
(2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124839965
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9042725
N-(3,4-difluorophenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)propanamide
CID 24506963
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 17424096

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one (CID 25340767) is (2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one is C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of (2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is JSLVRTSJDMQJMU-IEBWSBKVSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-17(24-11-5-9-19(24)20-10-6-16-26-20)21(25)23-14-12-22(13-15-23)18-7-3-2-4-8-18/h2-4,6-8,10,16-17,19H,5,9,11-15H2,1H3/t17-,19-/m1/s1.
What are the key properties of (2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one?
(2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 369.53 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 25340767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).