(2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone

C19H22ClN3O2 — CID 95881067

IUPAC(2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone
SMILESCc1cccnc1CN1CCN(C(=O)[C@@H](O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-14-4-3-7-21-17(14)13-22-8-10-23(11-9-22)19(25)18(24)15-5-2-6-16(20)12-15/h2-7,12,18,24H,8-11,13H2,1H3/t18-/m0/s1
InChIKeyPLWWYFNTNCETDL-SFHVURJKSA-N
MW359.86 g/mol
LogP2.42
Rot. Bonds4

About (2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone

(2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone (PubChem CID 95881067) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone
PubChem CID95881067
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name(2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone
SMILESCc1cccnc1CN1CCN(C(=O)[C@@H](O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-14-4-3-7-21-17(14)13-22-8-10-23(11-9-22)19(25)18(24)15-5-2-6-16(20)12-15/h2-7,12,18,24H,8-11,13H2,1H3/t18-/m0/s1
InChIKeyPLWWYFNTNCETDL-SFHVURJKSA-N
XLogP2.42
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

(2R)-2-(2-methylimidazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 126445384
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 70742561
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone
CID 50953285
N-(2,5-dichlorophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434263
(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one
CID 51593974
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 46971472
(2S)-2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 51586993
N-[(1S)-1-(4-methylphenyl)ethyl]-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 95121705
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70731899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of (2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone (CID 95881067) is (2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for (2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone is Cc1cccnc1CN1CCN(C(=O)[C@@H](O)c2cccc(Cl)c2)CC1.
What is the InChIKey of (2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is PLWWYFNTNCETDL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-14-4-3-7-21-17(14)13-22-8-10-23(11-9-22)19(25)18(24)15-5-2-6-16(20)12-15/h2-7,12,18,24H,8-11,13H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone?
(2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 359.86 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95881067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).