1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one

C22H36N2O2 — CID 18760474

IUPAC1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one
SMILESCCC1(C)CN(C(C)(C)C)C(=O)C(C)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C22H36N2O2/c1-9-21(7)16-23(20(4,5)6)19(25)22(8,10-2)24(21)26-17(3)18-14-12-11-13-15-18/h11-15,17H,9-10,16H2,1-8H3
InChIKeyJZIQRHNKFBJEER-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.96
Rot. Bonds5

About 1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one

1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one (PubChem CID 18760474) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one
PubChem CID18760474
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one
SMILESCCC1(C)CN(C(C)(C)C)C(=O)C(C)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C22H36N2O2/c1-9-21(7)16-23(20(4,5)6)19(25)22(8,10-2)24(21)26-17(3)18-14-12-11-13-15-18/h11-15,17H,9-10,16H2,1-8H3
InChIKeyJZIQRHNKFBJEER-UHFFFAOYSA-N
XLogP4.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one
CID 71374560
[4-[1-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxyethyl]phenyl] acetate
CID 22897608
1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione
CID 22992818
2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine
CID 69411966
8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 59554000
2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol
CID 22341851
[[2,6-diethyl-2,5,6-trimethyl-1-(1-phenylethoxy)-3H-pyridin-4-yl]amino] octadecanoate
CID 90872838
2,6-diethyl-N-methoxy-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-imine
CID 73446136
methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate
CID 21361395
methyl (E)-4-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-4-oxobut-2-enoate
CID 21361400
2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]oxy-2-oxoacetic acid
CID 141020106
CID 59919927
CID 59919927

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one?
The IUPAC name of 1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one (CID 18760474) is 1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one.
What is the SMILES notation for 1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one?
The canonical SMILES for 1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one is CCC1(C)CN(C(C)(C)C)C(=O)C(C)(CC)N1OC(C)c1ccccc1.
What is the InChIKey of 1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one?
The InChIKey is JZIQRHNKFBJEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-9-21(7)16-23(20(4,5)6)19(25)22(8,10-2)24(21)26-17(3)18-14-12-11-13-15-18/h11-15,17H,9-10,16H2,1-8H3.
What are the key properties of 1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one?
1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one has a molecular weight of 360.54 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one is sourced from PubChem (CID 18760474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).