tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate

C24H33N5O5 — CID 175941744

IUPACtert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate
SMILESCOc1ccc(-c2noc(N3CCN(C(=O)C4CCCN(C(=O)OC(C)(C)C)C4)CC3)n2)cc1
InChIInChI=1S/C24H33N5O5/c1-24(2,3)33-23(31)29-11-5-6-18(16-29)21(30)27-12-14-28(15-13-27)22-25-20(26-34-22)17-7-9-19(32-4)10-8-17/h7-10,18H,5-6,11-16H2,1-4H3
InChIKeySHWHDPRIGNYVLX-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.04
Rot. Bonds4

About tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate

tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 175941744) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate
PubChem CID175941744
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC Nametert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate
SMILESCOc1ccc(-c2noc(N3CCN(C(=O)C4CCCN(C(=O)OC(C)(C)C)C4)CC3)n2)cc1
InChIInChI=1S/C24H33N5O5/c1-24(2,3)33-23(31)29-11-5-6-18(16-29)21(30)27-12-14-28(15-13-27)22-25-20(26-34-22)17-7-9-19(32-4)10-8-17/h7-10,18H,5-6,11-16H2,1-4H3
InChIKeySHWHDPRIGNYVLX-UHFFFAOYSA-N
XLogP3.04
TPSA101.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 24611546
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methanone
CID 20904799
tert-butyl (3R)-3-[[(3S)-3-[[[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carbonyl]amino]methyl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 175941903
tert-butyl (3R)-3-[[(3R)-3-[[[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carbonyl]amino]methyl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 175941822
[4-(3-chlorophenyl)piperazin-1-yl]-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methanone
CID 20904801
[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 22519568
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]methanone
CID 53030303
cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 154763907
1-O-tert-butyl 3-O-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl] piperidine-1,3-dicarboxylate
CID 55444505
1-O-tert-butyl 3-O-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl] (3S)-piperidine-1,3-dicarboxylate
CID 33083338
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 126459659
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate (CID 175941744) is tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate is COc1ccc(-c2noc(N3CCN(C(=O)C4CCCN(C(=O)OC(C)(C)C)C4)CC3)n2)cc1.
What is the InChIKey of tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is SHWHDPRIGNYVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-24(2,3)33-23(31)29-11-5-6-18(16-29)21(30)27-12-14-28(15-13-27)22-25-20(26-34-22)17-7-9-19(32-4)10-8-17/h7-10,18H,5-6,11-16H2,1-4H3.
What are the key properties of tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate?
tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 471.56 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 175941744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).