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

C21H28N4O4 — CID 100683153

IUPACtert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCc1noc(-c2ccccc2C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1
InChIInChI=1S/C21H28N4O4/c1-13-12-15(10-11-25(13)20(27)28-21(3,4)5)23-18(26)16-8-6-7-9-17(16)19-22-14(2)24-29-19/h6-9,13,15H,10-12H2,1-5H3,(H,23,26)/t13-,15+/m1/s1
InChIKeyOPFNHRQEJDNOGX-HIFRSBDPSA-N
MW400.48 g/mol
LogP3.56
Rot. Bonds3

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

tert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 100683153) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is tert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID100683153
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Nametert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCc1noc(-c2ccccc2C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1
InChIInChI=1S/C21H28N4O4/c1-13-12-15(10-11-25(13)20(27)28-21(3,4)5)23-18(26)16-8-6-7-9-17(16)19-22-14(2)24-29-19/h6-9,13,15H,10-12H2,1-5H3,(H,23,26)/t13-,15+/m1/s1
InChIKeyOPFNHRQEJDNOGX-HIFRSBDPSA-N
XLogP3.56
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

tert-butyl 2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
CID 119039771
tert-butyl (1S,6R)-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 131732983
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119603440
tert-butyl 2-methyl-4-(2-methylbenzoyl)oxypiperidine-1-carboxylate
CID 175474929
tert-butyl 4-(2-aminoanilino)-2-methylpiperidine-1-carboxylate
CID 118209044
tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate
CID 118677205
tert-butyl 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 95929891
N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 119507620
tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate
CID 107094474
tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
CID 107094439
tert-butyl 2-methyl-4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate
CID 166514038

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate (CID 100683153) is tert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate is Cc1noc(-c2ccccc2C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1.
What is the InChIKey of tert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is OPFNHRQEJDNOGX-HIFRSBDPSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-13-12-15(10-11-25(13)20(27)28-21(3,4)5)23-18(26)16-8-6-7-9-17(16)19-22-14(2)24-29-19/h6-9,13,15H,10-12H2,1-5H3,(H,23,26)/t13-,15+/m1/s1.
What are the key properties of tert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
tert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 400.48 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-2-methyl-4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 100683153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).