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

C15H28N2O — CID 62780914

IUPAC(3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)C2CCC(C)C(N)C2)CC1
InChIInChI=1S/C15H28N2O/c1-3-12-6-8-17(9-7-12)15(18)13-5-4-11(2)14(16)10-13/h11-14H,3-10,16H2,1-2H3
InChIKeyJGLOZYRZMRNURM-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.40
Rot. Bonds2

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

(3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 62780914) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID62780914
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)C2CCC(C)C(N)C2)CC1
InChIInChI=1S/C15H28N2O/c1-3-12-6-8-17(9-7-12)15(18)13-5-4-11(2)14(16)10-13/h11-14H,3-10,16H2,1-2H3
InChIKeyJGLOZYRZMRNURM-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091996
(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone
CID 62775816
(3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119794884
(3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62782120
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
(3-amino-4-methylcyclohexyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674274
(3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 55218094
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylpiperidin-1-yl)methanone
CID 120986818
cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736017
(4-ethylpiperidin-1-yl)-(1-propan-2-ylazetidin-3-yl)methanone
CID 171093987
(2-aminocyclopentyl)-(4-ethylpiperidin-1-yl)methanone
CID 64823610
(3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62781610

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone (CID 62780914) is (3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)C2CCC(C)C(N)C2)CC1.
What is the InChIKey of (3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is JGLOZYRZMRNURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-12-6-8-17(9-7-12)15(18)13-5-4-11(2)14(16)10-13/h11-14H,3-10,16H2,1-2H3.
What are the key properties of (3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone?
(3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62780914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).