tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate

C22H32N2O5 — CID 177197889

IUPACtert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCC(c2ccc(OC3CCC(O)NC3=O)cc2)CC1
InChIInChI=1S/C22H32N2O5/c1-22(2,3)29-20(26)14-24-12-10-16(11-13-24)15-4-6-17(7-5-15)28-18-8-9-19(25)23-21(18)27/h4-7,16,18-19,25H,8-14H2,1-3H3,(H,23,27)
InChIKeyVGBSQIZAZITZRS-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.18
Rot. Bonds5

About tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate

tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate (PubChem CID 177197889) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate
PubChem CID177197889
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Nametert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCC(c2ccc(OC3CCC(O)NC3=O)cc2)CC1
InChIInChI=1S/C22H32N2O5/c1-22(2,3)29-20(26)14-24-12-10-16(11-13-24)15-4-6-17(7-5-15)28-18-8-9-19(25)23-21(18)27/h4-7,16,18-19,25H,8-14H2,1-3H3,(H,23,27)
InChIKeyVGBSQIZAZITZRS-UHFFFAOYSA-N
XLogP2.18
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate 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 2-[4-[4-[(2,4-dioxo-3-azabicyclo[3.2.2]nonan-1-yl)amino]phenyl]piperidin-1-yl]acetate
CID 171843919
tert-butyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-fluorophenyl]piperidin-1-yl]acetate
CID 156516068
tert-butyl 3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]propanoate
CID 166947699
tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate
CID 156798736
4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid
CID 159240821
tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate
CID 156507242
tert-butyl 4-(4-cyclopropylphenoxy)butanoate
CID 163225140
4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanamide;2,2,2-trifluoroacetic acid
CID 175284130
tert-butyl 2-[4-(4-oxocyclohexyl)phenoxy]acetate
CID 19602907
tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 90737093
tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
CID 170624626
tert-butyl 2-[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
CID 170625132

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate (CID 177197889) is tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCC(c2ccc(OC3CCC(O)NC3=O)cc2)CC1.
What is the InChIKey of tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate?
The InChIKey is VGBSQIZAZITZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-22(2,3)29-20(26)14-24-12-10-16(11-13-24)15-4-6-17(7-5-15)28-18-8-9-19(25)23-21(18)27/h4-7,16,18-19,25H,8-14H2,1-3H3,(H,23,27).
What are the key properties of tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate?
tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate has a molecular weight of 404.51 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[4-(6-hydroxy-2-oxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]acetate is sourced from PubChem (CID 177197889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).