tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate

C29H42N4O6 — CID 67702627

IUPACtert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate
SMILESCCC(c1nc(-c2ccc(C(=O)NC(C)C(=O)OC(C)(C)C)cc2)no1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C29H42N4O6/c1-9-22(19-14-16-33(17-15-19)27(36)38-29(6,7)8)25-31-23(32-39-25)20-10-12-21(13-11-20)24(34)30-18(2)26(35)37-28(3,4)5/h10-13,18-19,22H,9,14-17H2,1-8H3,(H,30,34)
InChIKeyKDLXBPCXJHAOKR-UHFFFAOYSA-N
MW542.68 g/mol
LogP5.34
Rot. Bonds7

About tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate

tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate (PubChem CID 67702627) has the molecular formula C29H42N4O6 and a molecular weight of 542.68 g/mol. Its IUPAC name is tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate
PubChem CID67702627
Molecular FormulaC29H42N4O6
Molecular Weight542.68 g/mol
Exact Mass542.31
IUPAC Nametert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate
SMILESCCC(c1nc(-c2ccc(C(=O)NC(C)C(=O)OC(C)(C)C)cc2)no1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C29H42N4O6/c1-9-22(19-14-16-33(17-15-19)27(36)38-29(6,7)8)25-31-23(32-39-25)20-10-12-21(13-11-20)24(34)30-18(2)26(35)37-28(3,4)5/h10-13,18-19,22H,9,14-17H2,1-8H3,(H,30,34)
InChIKeyKDLXBPCXJHAOKR-UHFFFAOYSA-N
XLogP5.34
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 138489818
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442
tert-butyl 4-[1-[3-(3-fluoro-4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
CID 24863006
tert-butyl 4-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
CID 74337457
tert-butyl 2-[1-[2-[(4-aminobenzoyl)amino]propanoyl]piperidin-4-yl]-2-ethoxyacetate
CID 174325917
tert-butyl (2S)-2-[1-[2-[(4-aminobenzoyl)amino]propanoyl]piperidin-4-yl]-2-ethoxyacetate
CID 174325919
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
tert-butyl 4-[(1S)-1-[3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
CID 24862850
tert-butyl 4-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]piperidine-1-carboxylate
CID 154652435
tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 58022723
tert-butyl 4-[2-amino-1-(4-propan-2-ylphenyl)ethyl]piperidine-1-carboxylate
CID 112538815
N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide
CID 42808996

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate (CID 67702627) is tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate is CCC(c1nc(-c2ccc(C(=O)NC(C)C(=O)OC(C)(C)C)cc2)no1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate?
The InChIKey is KDLXBPCXJHAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O6/c1-9-22(19-14-16-33(17-15-19)27(36)38-29(6,7)8)25-31-23(32-39-25)20-10-12-21(13-11-20)24(34)30-18(2)26(35)37-28(3,4)5/h10-13,18-19,22H,9,14-17H2,1-8H3,(H,30,34).
What are the key properties of tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate?
tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate has a molecular weight of 542.68 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 67702627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).