2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone

C15H28N2O2 — CID 102957332

IUPAC2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
SMILESCOC1CN(C(=O)CC2(N)CCCCC2)CCC1C
InChIInChI=1S/C15H28N2O2/c1-12-6-9-17(11-13(12)19-2)14(18)10-15(16)7-4-3-5-8-15/h12-13H,3-11,16H2,1-2H3
InChIKeyAQGHNLOZEXYZJE-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds3

About 2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone

2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 102957332) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
PubChem CID102957332
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
SMILESCOC1CN(C(=O)CC2(N)CCCCC2)CCC1C
InChIInChI=1S/C15H28N2O2/c1-12-6-9-17(11-13(12)19-2)14(18)10-15(16)7-4-3-5-8-15/h12-13H,3-11,16H2,1-2H3
InChIKeyAQGHNLOZEXYZJE-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 64683977
(1-aminocyclopropyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957458
1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide
CID 114081869
1-(3-methoxy-4-methylpiperidine-1-carbonyl)cyclohexane-1-carbothioamide
CID 102957842
2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 107217433
3-chloro-1-(3-methoxy-4-methylpiperidin-1-yl)propan-1-one
CID 102956855
2-(1-aminocyclopentyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 64683579
2-(1-aminocyclopentyl)-1-(3-tert-butylpyrrolidin-1-yl)ethanone
CID 113417335
2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64678060
2-(cyclopentylamino)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102957365
2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79854762
1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid
CID 115918559

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone (CID 102957332) is 2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone is COC1CN(C(=O)CC2(N)CCCCC2)CCC1C.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is AQGHNLOZEXYZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-6-9-17(11-13(12)19-2)14(18)10-15(16)7-4-3-5-8-15/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone?
2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 102957332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).