tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate

C20H26N4O4 — CID 168974665

IUPACtert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCc1nc(-c2cccc(C(=O)N[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)no1
InChIInChI=1S/C20H26N4O4/c1-13-21-17(23-28-13)14-7-5-8-15(11-14)18(25)22-16-9-6-10-24(12-16)19(26)27-20(2,3)4/h5,7-8,11,16H,6,9-10,12H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyABBMTPLZNTYLCI-INIZCTEOSA-N
MW386.45 g/mol
LogP3.17
Rot. Bonds3

About tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate

tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 168974665) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID168974665
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Nametert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCc1nc(-c2cccc(C(=O)N[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)no1
InChIInChI=1S/C20H26N4O4/c1-13-21-17(23-28-13)14-7-5-8-15(11-14)18(25)22-16-9-6-10-24(12-16)19(26)27-20(2,3)4/h5,7-8,11,16H,6,9-10,12H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyABBMTPLZNTYLCI-INIZCTEOSA-N
XLogP3.17
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 122598194
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CID 124562496
tert-butyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)piperidine-1-carboxylate
CID 71630800
tert-butyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 66618671
tert-butyl 3-[[3-amino-6-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 68650338
tert-butyl 3-[(3-aminobenzoyl)amino]azetidine-1-carboxylate
CID 89028394
tert-butyl (3R)-3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]piperidine-1-carboxylate
CID 99703069
tert-butyl 3-[[4-(2-oxo-1H-pyridin-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 69132512
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
3-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-pyridinyl]benzoic acid
CID 175660564
tert-butyl (3S)-3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 66618481
tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate
CID 66639098

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate (CID 168974665) is tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate is Cc1nc(-c2cccc(C(=O)N[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)no1.
What is the InChIKey of tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is ABBMTPLZNTYLCI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-13-21-17(23-28-13)14-7-5-8-15(11-14)18(25)22-16-9-6-10-24(12-16)19(26)27-20(2,3)4/h5,7-8,11,16H,6,9-10,12H2,1-4H3,(H,22,25)/t16-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate?
tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 168974665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).