tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate

C24H42N4O6 — CID 139782752

IUPACtert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate
SMILESCOC(=O)CN1CCC(OCC(=O)N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C24H42N4O6/c1-24(2,3)34-23(31)28-11-5-19(6-12-28)26-13-15-27(16-14-26)21(29)18-33-20-7-9-25(10-8-20)17-22(30)32-4/h19-20H,5-18H2,1-4H3
InChIKeyAPPRLJFNNDNQPT-UHFFFAOYSA-N
MW482.62 g/mol
LogP1.18
Rot. Bonds6

About tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate (PubChem CID 139782752) has the molecular formula C24H42N4O6 and a molecular weight of 482.62 g/mol. Its IUPAC name is tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate
PubChem CID139782752
Molecular FormulaC24H42N4O6
Molecular Weight482.62 g/mol
Exact Mass482.31
IUPAC Nametert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate
SMILESCOC(=O)CN1CCC(OCC(=O)N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C24H42N4O6/c1-24(2,3)34-23(31)28-11-5-19(6-12-28)26-13-15-27(16-14-26)21(29)18-33-20-7-9-25(10-8-20)17-22(30)32-4/h19-20H,5-18H2,1-4H3
InChIKeyAPPRLJFNNDNQPT-UHFFFAOYSA-N
XLogP1.18
TPSA91.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate 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

tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 15383398
tert-butyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate
CID 71755445
methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate
CID 6987532
tert-butyl 4-(2-methylprop-2-enoxy)piperidine-1-carboxylate
CID 129278353
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate
CID 143388075
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 146498115
tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate
CID 163284820
methyl 2-[1-[3-(4-piperidin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]oxyacetate;trihydrochloride
CID 67598531
tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 86608801
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate (CID 139782752) is tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate is COC(=O)CN1CCC(OCC(=O)N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1.
What is the InChIKey of tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate?
The InChIKey is APPRLJFNNDNQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O6/c1-24(2,3)34-23(31)28-11-5-19(6-12-28)26-13-15-27(16-14-26)21(29)18-33-20-7-9-25(10-8-20)17-22(30)32-4/h19-20H,5-18H2,1-4H3.
What are the key properties of tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate has a molecular weight of 482.62 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 139782752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).