1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone

C17H32N2O — CID 112815163

IUPAC1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
SMILESCCC1CCCCN1C(=O)CN(C)C1CCCCC1C
InChIInChI=1S/C17H32N2O/c1-4-15-10-7-8-12-19(15)17(20)13-18(3)16-11-6-5-9-14(16)2/h14-16H,4-13H2,1-3H3
InChIKeyWDJVURSVFLPTIN-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.29
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone

1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone (PubChem CID 112815163) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
PubChem CID112815163
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
SMILESCCC1CCCCN1C(=O)CN(C)C1CCCCC1C
InChIInChI=1S/C17H32N2O/c1-4-15-10-7-8-12-19(15)17(20)13-18(3)16-11-6-5-9-14(16)2/h14-16H,4-13H2,1-3H3
InChIKeyWDJVURSVFLPTIN-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dipropylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 86910548
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124834654
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119928683
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
N-cyclopentyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113148905
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 78767110
1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62021216
2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834213

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone (CID 112815163) is 1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone is CCC1CCCCN1C(=O)CN(C)C1CCCCC1C.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone?
The InChIKey is WDJVURSVFLPTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-15-10-7-8-12-19(15)17(20)13-18(3)16-11-6-5-9-14(16)2/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone?
1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone has a molecular weight of 280.46 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone is sourced from PubChem (CID 112815163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).