(4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone

C15H28N2O2 — CID 62783104

IUPAC(4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)C2CCC(N)C(C)C2)C1
InChIInChI=1S/C15H28N2O2/c1-3-19-13-5-4-8-17(10-13)15(18)12-6-7-14(16)11(2)9-12/h11-14H,3-10,16H2,1-2H3
InChIKeyOINNKYPJJNTVRS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds3

About (4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone

(4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 62783104) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone
PubChem CID62783104
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)C2CCC(N)C(C)C2)C1
InChIInChI=1S/C15H28N2O2/c1-3-19-13-5-4-8-17(10-13)15(18)12-6-7-14(16)11(2)9-12/h11-14H,3-10,16H2,1-2H3
InChIKeyOINNKYPJJNTVRS-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone
CID 79937040
(3-aminocyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 55135879
3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one
CID 130611611
cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 42844209
(2-aminocyclopentyl)-(3-propoxypiperidin-1-yl)methanone
CID 64822657
3-(3-aminopiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550534
1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
CID 107026169
cis-(1S,3R)-3-(3-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091790
7-amino-1-(3-ethoxypiperidin-1-yl)heptan-1-one
CID 54990000
2-(1-aminocyclopentyl)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 64677827

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone (CID 62783104) is (4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)C2CCC(N)C(C)C2)C1.
What is the InChIKey of (4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is OINNKYPJJNTVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-19-13-5-4-8-17(10-13)15(18)12-6-7-14(16)11(2)9-12/h11-14H,3-10,16H2,1-2H3.
What are the key properties of (4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone?
(4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 62783104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).