1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone

C16H28N2O2 — CID 168882694

IUPAC1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(C)CCN(C(=O)CC2CCN(C)CC2)CC1
InChIInChI=1S/C16H28N2O2/c1-13(19)16(2)6-10-18(11-7-16)15(20)12-14-4-8-17(3)9-5-14/h14H,4-12H2,1-3H3
InChIKeyXVZFWHIXPVUVDZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.94
Rot. Bonds3

About 1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone

1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone (PubChem CID 168882694) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
PubChem CID168882694
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(C)CCN(C(=O)CC2CCN(C)CC2)CC1
InChIInChI=1S/C16H28N2O2/c1-13(19)16(2)6-10-18(11-7-16)15(20)12-14-4-8-17(3)9-5-14/h14H,4-12H2,1-3H3
InChIKeyXVZFWHIXPVUVDZ-UHFFFAOYSA-N
XLogP1.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
4-methyl-1-[2-(thian-4-yl)acetyl]piperidine-4-carboxylic acid
CID 83145290
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 102852264
2-cyclopentyl-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706726
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95969531
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 115276675
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 115275797
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone
CID 115276536
2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 111113460
2-cyclopentyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304327

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone (CID 168882694) is 1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone is CC(=O)C1(C)CCN(C(=O)CC2CCN(C)CC2)CC1.
What is the InChIKey of 1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
The InChIKey is XVZFWHIXPVUVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(19)16(2)6-10-18(11-7-16)15(20)12-14-4-8-17(3)9-5-14/h14H,4-12H2,1-3H3.
What are the key properties of 1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 280.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 168882694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).