2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone

C20H23ClN2O3 — CID 178103349

IUPAC2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccncc1C(O)C1CCCCN1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-26-18-8-9-22-13-16(18)20(25)17-7-2-3-10-23(17)19(24)12-14-5-4-6-15(21)11-14/h4-6,8-9,11,13,17,20,25H,2-3,7,10,12H2,1H3
InChIKeyUFRHCIDAPISBCE-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.40
Rot. Bonds5

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

2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone (PubChem CID 178103349) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone
PubChem CID178103349
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccncc1C(O)C1CCCCN1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-26-18-8-9-22-13-16(18)20(25)17-7-2-3-10-23(17)19(24)12-14-5-4-6-15(21)11-14/h4-6,8-9,11,13,17,20,25H,2-3,7,10,12H2,1H3
InChIKeyUFRHCIDAPISBCE-UHFFFAOYSA-N
XLogP3.40
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone (CID 178103349) is 2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone is COc1ccncc1C(O)C1CCCCN1C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is UFRHCIDAPISBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-26-18-8-9-22-13-16(18)20(25)17-7-2-3-10-23(17)19(24)12-14-5-4-6-15(21)11-14/h4-6,8-9,11,13,17,20,25H,2-3,7,10,12H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 374.87 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 178103349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).