4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one

C19H21ClN2O3 — CID 138377841

IUPAC4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(C(=O)C(O)c3ccccc3Cl)CC2)cc1=O
InChIInChI=1S/C19H21ClN2O3/c1-21-9-6-14(12-17(21)23)13-7-10-22(11-8-13)19(25)18(24)15-4-2-3-5-16(15)20/h2-6,9,12-13,18,24H,7-8,10-11H2,1H3
InChIKeySPQDFWFGWGHJDS-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.48
Rot. Bonds3

About 4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one

4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 138377841) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID138377841
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(C(=O)C(O)c3ccccc3Cl)CC2)cc1=O
InChIInChI=1S/C19H21ClN2O3/c1-21-9-6-14(12-17(21)23)13-7-10-22(11-8-13)19(25)18(24)15-4-2-3-5-16(15)20/h2-6,9,12-13,18,24H,7-8,10-11H2,1H3
InChIKeySPQDFWFGWGHJDS-UHFFFAOYSA-N
XLogP2.48
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one (CID 138377841) is 4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one is Cn1ccc(C2CCN(C(=O)C(O)c3ccccc3Cl)CC2)cc1=O.
What is the InChIKey of 4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is SPQDFWFGWGHJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-21-9-6-14(12-17(21)23)13-7-10-22(11-8-13)19(25)18(24)15-4-2-3-5-16(15)20/h2-6,9,12-13,18,24H,7-8,10-11H2,1H3.
What are the key properties of 4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 360.84 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138377841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).