1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

C16H24N2O2 — CID 110866811

IUPAC1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-17(2)14-8-10-18(11-9-14)16(19)12-13-4-6-15(20-3)7-5-13/h4-7,14H,8-12H2,1-3H3
InChIKeyFSWOECDPKIMNHY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.79
Rot. Bonds4

About 1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 110866811) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID110866811
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-17(2)14-8-10-18(11-9-14)16(19)12-13-4-6-15(20-3)7-5-13/h4-7,14H,8-12H2,1-3H3
InChIKeyFSWOECDPKIMNHY-UHFFFAOYSA-N
XLogP1.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
1-[2-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
4-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 110359176
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113073801
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 110866811) is 1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCC(N(C)C)CC2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is FSWOECDPKIMNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17(2)14-8-10-18(11-9-14)16(19)12-13-4-6-15(20-3)7-5-13/h4-7,14H,8-12H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 110866811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).