4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one

C20H23ClN2O3 — CID 138384238

IUPAC4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C20H23ClN2O3/c1-14(26-18-5-3-4-17(21)13-18)20(25)23-10-7-15(8-11-23)16-6-9-22(2)19(24)12-16/h3-6,9,12-15H,7-8,10-11H2,1-2H3
InChIKeyRHHIKWGGEJEBGC-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.21
Rot. Bonds4

About 4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one

4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 138384238) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID138384238
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C20H23ClN2O3/c1-14(26-18-5-3-4-17(21)13-18)20(25)23-10-7-15(8-11-23)16-6-9-22(2)19(24)12-16/h3-6,9,12-15H,7-8,10-11H2,1-2H3
InChIKeyRHHIKWGGEJEBGC-UHFFFAOYSA-N
XLogP3.21
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
2-(3-chlorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60957511
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3-chlorophenoxy)propan-1-one;hydrochloride
CID 119934342
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138377841
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-(3-chlorophenoxy)-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 163340299
1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 55904910
2-(3-chlorophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 115746672
(2R)-2-(3-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one
CID 7405258
2-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43391609

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one (CID 138384238) is 4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one is CC(Oc1cccc(Cl)c1)C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is RHHIKWGGEJEBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14(26-18-5-3-4-17(21)13-18)20(25)23-10-7-15(8-11-23)16-6-9-22(2)19(24)12-16/h3-6,9,12-15H,7-8,10-11H2,1-2H3.
What are the key properties of 4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 374.87 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138384238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).