tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate

C18H25N5O3 — CID 100765596

IUPACtert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate
SMILESCc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)no1
InChIInChI=1S/C18H25N5O3/c1-13-20-16(21-26-13)12-22-9-10-23(17(24)25-18(2,3)4)11-15(22)14-5-7-19-8-6-14/h5-8,15H,9-12H2,1-4H3/t15-/m0/s1
InChIKeyHHPVZCUJBBMLBA-HNNXBMFYSA-N
MW359.43 g/mol
LogP2.57
Rot. Bonds3

About tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate

tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate (PubChem CID 100765596) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate
PubChem CID100765596
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Nametert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate
SMILESCc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)no1
InChIInChI=1S/C18H25N5O3/c1-13-20-16(21-26-13)12-22-9-10-23(17(24)25-18(2,3)4)11-15(22)14-5-7-19-8-6-14/h5-8,15H,9-12H2,1-4H3/t15-/m0/s1
InChIKeyHHPVZCUJBBMLBA-HNNXBMFYSA-N
XLogP2.57
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3S)-3-(4-ethylphenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate
CID 100738132
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-methyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxylate
CID 71635020
tert-butyl (3R)-3-methyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxylate
CID 97177200
tert-butyl (3R)-4-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-pyridin-4-ylpiperazine-1-carboxylate
CID 100765590
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazine-1-carboxylate
CID 31122195
tert-butyl (3R)-4-[3-[[(2S)-oxolan-2-yl]methoxy]propanoyl]-3-pyridin-4-ylpiperazine-1-carboxylate
CID 100734158
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
CID 128993783
tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 119037964
tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate
CID 93078429
tert-butyl (3S)-4-(pyridine-4-carbonyl)-3-pyridin-3-ylpiperazine-1-carboxylate
CID 124841498

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate (CID 100765596) is tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate is Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)no1.
What is the InChIKey of tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate?
The InChIKey is HHPVZCUJBBMLBA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-13-20-16(21-26-13)12-22-9-10-23(17(24)25-18(2,3)4)11-15(22)14-5-7-19-8-6-14/h5-8,15H,9-12H2,1-4H3/t15-/m0/s1.
What are the key properties of tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate?
tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate is sourced from PubChem (CID 100765596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).