(4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

C20H34N4O — CID 90533216

IUPAC(4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCN(CCn3ccnc3)CC2)CC1
InChIInChI=1S/C20H34N4O/c1-2-3-4-18-5-7-19(8-6-18)20(25)24-15-13-22(14-16-24)11-12-23-10-9-21-17-23/h9-10,17-19H,2-8,11-16H2,1H3
InChIKeyNTHUJVZJUSXTGV-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.02
Rot. Bonds7

About (4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

(4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 90533216) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is (4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
PubChem CID90533216
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name(4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCN(CCn3ccnc3)CC2)CC1
InChIInChI=1S/C20H34N4O/c1-2-3-4-18-5-7-19(8-6-18)20(25)24-15-13-22(14-16-24)11-12-23-10-9-21-17-23/h9-10,17-19H,2-8,11-16H2,1H3
InChIKeyNTHUJVZJUSXTGV-UHFFFAOYSA-N
XLogP3.02
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533672
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 71788571
4-(2-imidazol-1-ylethyl)-1-octadecylpiperidine;dihydrochloride
CID 23052324
cyclobutyl-(4-pentylpiperazin-1-yl)methanone
CID 113075121
(4-butylcyclohexyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585138
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone
CID 60847754
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone
CID 90533365
[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 81469957
1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
CID 174856512
(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501545
ethyl 2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]acetate
CID 90533491

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (CID 90533216) is (4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone is CCCCC1CCC(C(=O)N2CCN(CCn3ccnc3)CC2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is NTHUJVZJUSXTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-2-3-4-18-5-7-19(8-6-18)20(25)24-15-13-22(14-16-24)11-12-23-10-9-21-17-23/h9-10,17-19H,2-8,11-16H2,1H3.
What are the key properties of (4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
(4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 346.52 g/mol, XLogP of 3.02, 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-imidazol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90533216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).