(4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

C21H36N4O — CID 90533672

IUPAC(4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCN(CCn3ccnc3C)CC2)CC1
InChIInChI=1S/C21H36N4O/c1-3-4-5-19-6-8-20(9-7-19)21(26)25-16-13-23(14-17-25)12-15-24-11-10-22-18(24)2/h10-11,19-20H,3-9,12-17H2,1-2H3
InChIKeyDUXFKSADYMETNB-UHFFFAOYSA-N
MW360.55 g/mol
LogP3.33
Rot. Bonds7

About (4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

(4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 90533672) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is (4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID90533672
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC Name(4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCN(CCn3ccnc3C)CC2)CC1
InChIInChI=1S/C21H36N4O/c1-3-4-5-19-6-8-20(9-7-19)21(26)25-16-13-23(14-17-25)12-15-24-11-10-22-18(24)2/h10-11,19-20H,3-9,12-17H2,1-2H3
InChIKeyDUXFKSADYMETNB-UHFFFAOYSA-N
XLogP3.33
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533216
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 90533659
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533668
ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate
CID 62026889
(4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 97147763
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide
CID 90533937
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783452
cyclohex-3-en-1-yl-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561708
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 60591003

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 90533672) is (4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is CCCCC1CCC(C(=O)N2CCN(CCn3ccnc3C)CC2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is DUXFKSADYMETNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O/c1-3-4-5-19-6-8-20(9-7-19)21(26)25-16-13-23(14-17-25)12-15-24-11-10-22-18(24)2/h10-11,19-20H,3-9,12-17H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
(4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 360.55 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90533672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).