(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride

C15H29Cl2N3O — CID 119887153

IUPAC(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)N2CCN(C3CCC3)CC2)C1
InChIInChI=1S/C15H27N3O.2ClH/c16-13-4-1-3-12(11-13)15(19)18-9-7-17(8-10-18)14-5-2-6-14;;/h12-14H,1-11,16H2;2*1H
InChIKeyUORLISVKKHAXGE-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.04
Rot. Bonds2

About (3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride

(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119887153) has the molecular formula C15H29Cl2N3O and a molecular weight of 338.32 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119887153
Molecular FormulaC15H29Cl2N3O
Molecular Weight338.32 g/mol
Exact Mass337.17
IUPAC Name(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)N2CCN(C3CCC3)CC2)C1
InChIInChI=1S/C15H27N3O.2ClH/c16-13-4-1-3-12(11-13)15(19)18-9-7-17(8-10-18)14-5-2-6-14;;/h12-14H,1-11,16H2;2*1H
InChIKeyUORLISVKKHAXGE-UHFFFAOYSA-N
XLogP2.04
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471
3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782292
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63046105
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride (CID 119887153) is (3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)N2CCN(C3CCC3)CC2)C1.
What is the InChIKey of (3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is UORLISVKKHAXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O.2ClH/c16-13-4-1-3-12(11-13)15(19)18-9-7-17(8-10-18)14-5-2-6-14;;/h12-14H,1-11,16H2;2*1H.
What are the key properties of (3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride?
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 338.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119887153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).