2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone

C16H23NO4 — CID 93191529

IUPAC2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(=O)CN2CCCCC2)c(OC)c1
InChIInChI=1S/C16H23NO4/c1-19-12-9-14(20-2)16(15(10-12)21-3)13(18)11-17-7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3
InChIKeyCCVDOHJVIBQZEV-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.38
Rot. Bonds6

About 2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone

2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone (PubChem CID 93191529) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
PubChem CID93191529
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(=O)CN2CCCCC2)c(OC)c1
InChIInChI=1S/C16H23NO4/c1-19-12-9-14(20-2)16(15(10-12)21-3)13(18)11-17-7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3
InChIKeyCCVDOHJVIBQZEV-UHFFFAOYSA-N
XLogP2.38
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride
CID 3050698
2-methylsulfanyl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 86045322
4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid
CID 82052295
2-(azocan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43219868
1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone
CID 82053018
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone
CID 82053135
1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861684
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053961
4-[3-(hydroxymethyl)piperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)butan-1-one
CID 15598960
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone
CID 82053751

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone?
The IUPAC name of 2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone (CID 93191529) is 2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone is COc1cc(OC)c(C(=O)CN2CCCCC2)c(OC)c1.
What is the InChIKey of 2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone?
The InChIKey is CCVDOHJVIBQZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-12-9-14(20-2)16(15(10-12)21-3)13(18)11-17-7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone?
2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone has a molecular weight of 293.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone is sourced from PubChem (CID 93191529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).