2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate

C20H27N5O3 — CID 11992706

IUPAC2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCN(c2cc(-c3noc(C4CC4)n3)ccn2)CC1
InChIInChI=1S/C20H27N5O3/c1-20(2,3)13-27-19(26)25-10-8-24(9-11-25)16-12-15(6-7-21-16)17-22-18(28-23-17)14-4-5-14/h6-7,12,14H,4-5,8-11,13H2,1-3H3
InChIKeyBUCQHEWLQADBLN-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.31
Rot. Bonds4

About 2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate

2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 11992706) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate
PubChem CID11992706
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCN(c2cc(-c3noc(C4CC4)n3)ccn2)CC1
InChIInChI=1S/C20H27N5O3/c1-20(2,3)13-27-19(26)25-10-8-24(9-11-25)16-12-15(6-7-21-16)17-22-18(28-23-17)14-4-5-14/h6-7,12,14H,4-5,8-11,13H2,1-3H3
InChIKeyBUCQHEWLQADBLN-UHFFFAOYSA-N
XLogP3.31
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate with MolForge

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Related Compounds

2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 11992804
5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 155952563
4-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine
CID 53133392
1-[4-[2-[3-[2-(4-acetylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 75614802
1-[4-[4-[5-(1-cyclohexylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 75614809
tert-butyl 4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439530
1-[4-[4-[5-[(2S)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 51136828
1-[4-[4-[5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 75614823
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442
1-[4-[4-[5-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 51136816
1-[4-[4-[5-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 75614838
1-[4-[4-[5-[1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 75614834

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of 2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate (CID 11992706) is 2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate is CC(C)(C)COC(=O)N1CCN(c2cc(-c3noc(C4CC4)n3)ccn2)CC1.
What is the InChIKey of 2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is BUCQHEWLQADBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-20(2,3)13-27-19(26)25-10-8-24(9-11-25)16-12-15(6-7-21-16)17-22-18(28-23-17)14-4-5-14/h6-7,12,14H,4-5,8-11,13H2,1-3H3.
What are the key properties of 2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate?
2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 385.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 11992706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).