1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one

C19H22ClN3O3 — CID 131935960

IUPAC1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
SMILESCc1ccccc1OCC(O)C(=O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H22ClN3O3/c1-14-4-2-3-5-17(14)26-13-16(24)19(25)23-10-8-22(9-11-23)18-7-6-15(20)12-21-18/h2-7,12,16,24H,8-11,13H2,1H3
InChIKeyQGDDVHNXJBMDCV-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.13
Rot. Bonds5

About 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one

1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one (PubChem CID 131935960) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
PubChem CID131935960
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
SMILESCc1ccccc1OCC(O)C(=O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H22ClN3O3/c1-14-4-2-3-5-17(14)26-13-16(24)19(25)23-10-8-22(9-11-23)18-7-6-15(20)12-21-18/h2-7,12,16,24H,8-11,13H2,1H3
InChIKeyQGDDVHNXJBMDCV-UHFFFAOYSA-N
XLogP2.13
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665303
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
CID 131910721
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 35376587
(2S)-2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119848044
8-[(2R)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 125165060
2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 2976964
(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 1254913
2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one
CID 91766344
8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95870119
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 60593358
2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741413
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 96519241

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one?
The IUPAC name of 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one (CID 131935960) is 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one?
The canonical SMILES for 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one is Cc1ccccc1OCC(O)C(=O)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one?
The InChIKey is QGDDVHNXJBMDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-14-4-2-3-5-17(14)26-13-16(24)19(25)23-10-8-22(9-11-23)18-7-6-15(20)12-21-18/h2-7,12,16,24H,8-11,13H2,1H3.
What are the key properties of 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one?
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one has a molecular weight of 375.86 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one is sourced from PubChem (CID 131935960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).