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

C26H35N5O5 — CID 51960707

IUPACtert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate
SMILESCc1noc(-c2ccc(C(=O)N3CCC[C@H](NC(=O)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)cc2)n1
InChIInChI=1S/C26H35N5O5/c1-17-27-23(36-29-17)18-9-11-19(12-10-18)24(33)30-13-6-8-21(16-30)28-22(32)20-7-5-14-31(15-20)25(34)35-26(2,3)4/h9-12,20-21H,5-8,13-16H2,1-4H3,(H,28,32)/t20-,21+/m1/s1
InChIKeyABRVKXGOLCOION-RTWAWAEBSA-N
MW497.60 g/mol
LogP3.41
Rot. Bonds4

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

tert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 51960707) has the molecular formula C26H35N5O5 and a molecular weight of 497.60 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID51960707
Molecular FormulaC26H35N5O5
Molecular Weight497.60 g/mol
Exact Mass497.26
IUPAC Nametert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate
SMILESCc1noc(-c2ccc(C(=O)N3CCC[C@H](NC(=O)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)cc2)n1
InChIInChI=1S/C26H35N5O5/c1-17-27-23(36-29-17)18-9-11-19(12-10-18)24(33)30-13-6-8-21(16-30)28-22(32)20-7-5-14-31(15-20)25(34)35-26(2,3)4/h9-12,20-21H,5-8,13-16H2,1-4H3,(H,28,32)/t20-,21+/m1/s1
InChIKeyABRVKXGOLCOION-RTWAWAEBSA-N
XLogP3.41
TPSA117.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47048690
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134048335
tert-butyl 4-[cyclopropyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300916
tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
CID 53256460
tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 168974665
tert-butyl 3-(4-methylbenzoyl)piperidine-1-carboxylate
CID 122200685
tert-butyl (3S)-3-[[(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]carbamoyl]piperidine-1-carboxylate
CID 129377148
tert-butyl (3R)-3-[[(3R)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]carbamoyl]piperidine-1-carboxylate
CID 51961600
tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate
CID 55438903
(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728911
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate (CID 51960707) is tert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate is Cc1noc(-c2ccc(C(=O)N3CCC[C@H](NC(=O)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)cc2)n1.
What is the InChIKey of tert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is ABRVKXGOLCOION-RTWAWAEBSA-N. The full InChI is InChI=1S/C26H35N5O5/c1-17-27-23(36-29-17)18-9-11-19(12-10-18)24(33)30-13-6-8-21(16-30)28-22(32)20-7-5-14-31(15-20)25(34)35-26(2,3)4/h9-12,20-21H,5-8,13-16H2,1-4H3,(H,28,32)/t20-,21+/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 497.60 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 51960707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).