2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone

C15H20ClNO3 — CID 112534858

IUPAC2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
SMILESCOC1(OC)CCN(C(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO3/c1-19-15(20-2)6-8-17(9-7-15)14(18)11-12-4-3-5-13(16)10-12/h3-5,10H,6-9,11H2,1-2H3
InChIKeyHMKYJOHSCLBXIO-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.49
Rot. Bonds4

About 2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone

2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone (PubChem CID 112534858) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
PubChem CID112534858
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
SMILESCOC1(OC)CCN(C(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO3/c1-19-15(20-2)6-8-17(9-7-15)14(18)11-12-4-3-5-13(16)10-12/h3-5,10H,6-9,11H2,1-2H3
InChIKeyHMKYJOHSCLBXIO-UHFFFAOYSA-N
XLogP2.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304338
2-(4-bromophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
CID 112534855
2-(3-chlorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110818232
2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 80552385
1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone
CID 134787981
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
2-(3-chlorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112537658
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide
CID 110750504
2-(3-chlorophenyl)-1-[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 163838480
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]acetonitrile
CID 63336887
2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110159723

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone (CID 112534858) is 2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone is COC1(OC)CCN(C(=O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone?
The InChIKey is HMKYJOHSCLBXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-19-15(20-2)6-8-17(9-7-15)14(18)11-12-4-3-5-13(16)10-12/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone?
2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone has a molecular weight of 297.78 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 112534858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).