tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate

C29H36N4O5 — CID 140933995

IUPACtert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCc1ccc(C)c(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C29H36N4O5/c1-18-10-11-19(2)30-25(18)33(22-9-8-16-32(17-22)27(36)37-28(3,4)5)26(35)21-14-12-20(13-15-21)23-24(34)29(6,7)38-31-23/h10-15,22H,8-9,16-17H2,1-7H3/t22-/m1/s1
InChIKeySXRXLTXZVZBLHG-JOCHJYFZSA-N
MW520.63 g/mol
LogP4.83
Rot. Bonds4

About tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 140933995) has the molecular formula C29H36N4O5 and a molecular weight of 520.63 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID140933995
Molecular FormulaC29H36N4O5
Molecular Weight520.63 g/mol
Exact Mass520.27
IUPAC Nametert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCc1ccc(C)c(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C29H36N4O5/c1-18-10-11-19(2)30-25(18)33(22-9-8-16-32(17-22)27(36)37-28(3,4)5)26(35)21-14-12-20(13-15-21)23-24(34)29(6,7)38-31-23/h10-15,22H,8-9,16-17H2,1-7H3/t22-/m1/s1
InChIKeySXRXLTXZVZBLHG-JOCHJYFZSA-N
XLogP4.83
TPSA101.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-[(5-chloro-3-methyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 140933912
tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]amino]piperidine-1-carboxylate
CID 140933944
tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-ethyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-ethyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;3-chloro-4-ethylpyridine;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
CID 159598674
tert-butyl (3R)-3-[(4-iodobenzoyl)-(8-methylisoquinolin-1-yl)amino]piperidine-1-carboxylate
CID 172532357
tert-butyl (3R)-3-[(8-methylisoquinolin-1-yl)-[4-(1-methyltriazol-4-yl)benzoyl]amino]piperidine-1-carboxylate
CID 172533469
tert-butyl (3R)-3-[(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933931
methyl 5-[(6-chloro-8-methylisoquinolin-1-yl)-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamoyl]pyridine-2-carboxylate
CID 172532140
N-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 140933927
tert-butyl (3S)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]piperidine-1-carboxylate
CID 71646723
tert-butyl (3R)-3-[(2-fluoro-4-pyrazin-2-ylbenzoyl)-(8-methylisoquinolin-1-yl)amino]piperidine-1-carboxylate
CID 172532080
tert-butyl 3-[[4-[5-[2-(1-ethoxycarbonyloxypropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]benzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 123659362
tert-butyl 3-[[4-[1-methyl-5-[2-(1-propan-2-yloxycarbonyloxypropyl)tetrazol-5-yl]pyrazol-4-yl]benzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 123895750

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate (CID 140933995) is tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate is Cc1ccc(C)c(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is SXRXLTXZVZBLHG-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H36N4O5/c1-18-10-11-19(2)30-25(18)33(22-9-8-16-32(17-22)27(36)37-28(3,4)5)26(35)21-14-12-20(13-15-21)23-24(34)29(6,7)38-31-23/h10-15,22H,8-9,16-17H2,1-7H3/t22-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 520.63 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 140933995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).