1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone

C21H41N3O — CID 156551441

IUPAC1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone
SMILESCC(C)CCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C21H41N3O/c1-18(2)7-10-22-13-15-23(16-14-22)17-19(25)24-11-8-21(6,9-12-24)20(3,4)5/h18H,7-17H2,1-6H3
InChIKeyMJEWYCGIRMIJJL-UHFFFAOYSA-N
MW351.58 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone

1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone (PubChem CID 156551441) has the molecular formula C21H41N3O and a molecular weight of 351.58 g/mol. Its IUPAC name is 1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone
PubChem CID156551441
Molecular FormulaC21H41N3O
Molecular Weight351.58 g/mol
Exact Mass351.32
IUPAC Name1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone
SMILESCC(C)CCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C21H41N3O/c1-18(2)7-10-22-13-15-23(16-14-22)17-19(25)24-11-8-21(6,9-12-24)20(3,4)5/h18H,7-17H2,1-6H3
InChIKeyMJEWYCGIRMIJJL-UHFFFAOYSA-N
XLogP3.32
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60808366
2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 79854884
2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 61265445
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 61030469
4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
CID 55168038
1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone
CID 167711467
2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 54873596
1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone
CID 170031552
[2-[4-(3-methylbutyl)piperazin-1-yl]-2-oxoethyl] acetate
CID 163778051
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone (CID 156551441) is 1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone is CC(C)CCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
The InChIKey is MJEWYCGIRMIJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O/c1-18(2)7-10-22-13-15-23(16-14-22)17-19(25)24-11-8-21(6,9-12-24)20(3,4)5/h18H,7-17H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone has a molecular weight of 351.58 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 156551441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).