2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone

C15H20ClNO2 — CID 110767238

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H20ClNO2/c1-11-5-7-17(8-6-11)15(18)10-12-9-13(16)3-4-14(12)19-2/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyHZLVYXUAWLCPBT-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.15
Rot. Bonds3

About 2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone

2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 110767238) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID110767238
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H20ClNO2/c1-11-5-7-17(8-6-11)15(18)10-12-9-13(16)3-4-14(12)19-2/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyHZLVYXUAWLCPBT-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559727
2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60957270
2-(5-chloro-2-methoxyphenyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103900213
2-(5-chloro-2-methoxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029346
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone;hydrochloride
CID 119661557
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 78851465
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 51519873
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142
2-(5-chloro-2-methoxyphenyl)-1-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 126793023
2-(5-chloro-2-methoxyphenyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406639
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 9087034
2-(5-chloro-2-methoxyphenyl)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 110804904

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone (CID 110767238) is 2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone is COc1ccc(Cl)cc1CC(=O)N1CCC(C)CC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is HZLVYXUAWLCPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-5-7-17(8-6-11)15(18)10-12-9-13(16)3-4-14(12)19-2/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 281.78 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110767238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).