(3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

C14H27N3O — CID 63603764

IUPAC(3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)C2CCCC(N)C2)CCN1C
InChIInChI=1S/C14H27N3O/c1-3-13-10-17(8-7-16(13)2)14(18)11-5-4-6-12(15)9-11/h11-13H,3-10,15H2,1-2H3
InChIKeyRJZVOEPWHOAGJW-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds2

About (3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

(3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (PubChem CID 63603764) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
PubChem CID63603764
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)C2CCCC(N)C2)CCN1C
InChIInChI=1S/C14H27N3O/c1-3-13-10-17(8-7-16(13)2)14(18)11-5-4-6-12(15)9-11/h11-13H,3-10,15H2,1-2H3
InChIKeyRJZVOEPWHOAGJW-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
(2-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 55215394
(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55134344
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
(3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride
CID 119703676
2-(3-ethyl-4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978778
(3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
CID 119880273
(3-aminocyclohexyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81200359
(3-aminocyclopentyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 119880437
methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate
CID 55147306
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (CID 63603764) is (3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is CCC1CN(C(=O)C2CCCC(N)C2)CCN1C.
What is the InChIKey of (3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The InChIKey is RJZVOEPWHOAGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-13-10-17(8-7-16(13)2)14(18)11-5-4-6-12(15)9-11/h11-13H,3-10,15H2,1-2H3.
What are the key properties of (3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
(3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63603764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).