tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate

C23H33N3O4 — CID 156708848

IUPACtert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate
SMILESCN1CCC(n2c(=O)oc3cc(C4CCN(C(=O)OC(C)(C)C)CC4)ccc32)CC1
InChIInChI=1S/C23H33N3O4/c1-23(2,3)30-21(27)25-13-7-16(8-14-25)17-5-6-19-20(15-17)29-22(28)26(19)18-9-11-24(4)12-10-18/h5-6,15-16,18H,7-14H2,1-4H3
InChIKeyAZCCVBVHMOUKNS-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.98
Rot. Bonds2

About tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate

tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate (PubChem CID 156708848) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate
PubChem CID156708848
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Nametert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate
SMILESCN1CCC(n2c(=O)oc3cc(C4CCN(C(=O)OC(C)(C)C)CC4)ccc32)CC1
InChIInChI=1S/C23H33N3O4/c1-23(2,3)30-21(27)25-13-7-16(8-14-25)17-5-6-19-20(15-17)29-22(28)26(19)18-9-11-24(4)12-10-18/h5-6,15-16,18H,7-14H2,1-4H3
InChIKeyAZCCVBVHMOUKNS-UHFFFAOYSA-N
XLogP3.98
TPSA67.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate
CID 156708923
tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate
CID 139447760
tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate
CID 177057091
tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate
CID 22049422
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075
methyl 1,3-dimethyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indole-2-carboxylate
CID 118378615
tert-butyl 4-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 69229226
tert-butyl 4-[3-methyl-2-oxo-1-(2-oxoazepan-3-yl)benzimidazol-5-yl]piperidine-1-carboxylate
CID 171844058
tert-butyl 4-(4-isocyano-3-methylphenyl)piperidine-1-carboxylate
CID 58559209
tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate;dioxane
CID 175320052
tert-butyl 4-(4-formyl-3-methylphenyl)piperidine-1-carboxylate
CID 130199926

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate (CID 156708848) is tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate is CN1CCC(n2c(=O)oc3cc(C4CCN(C(=O)OC(C)(C)C)CC4)ccc32)CC1.
What is the InChIKey of tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate?
The InChIKey is AZCCVBVHMOUKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-23(2,3)30-21(27)25-13-7-16(8-14-25)17-5-6-19-20(15-17)29-22(28)26(19)18-9-11-24(4)12-10-18/h5-6,15-16,18H,7-14H2,1-4H3.
What are the key properties of tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 156708848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).