(3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

C20H28N4O2 — CID 119377261

IUPAC(3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N3CCCC(N)C3)c12
InChIInChI=1S/C20H28N4O2/c1-20(2,3)10-16-17-14(19(25)24-8-4-5-13(21)11-24)9-15(12-6-7-12)22-18(17)26-23-16/h9,12-13H,4-8,10-11,21H2,1-3H3
InChIKeySOCCAUJQEKTKKY-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.25
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

(3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 119377261) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID119377261
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N3CCCC(N)C3)c12
InChIInChI=1S/C20H28N4O2/c1-20(2,3)10-16-17-14(19(25)24-8-4-5-13(21)11-24)9-15(12-6-7-12)22-18(17)26-23-16/h9,12-13H,4-8,10-11,21H2,1-3H3
InChIKeySOCCAUJQEKTKKY-UHFFFAOYSA-N
XLogP3.25
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 119592829
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 95192006
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538539
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635024
2-[1-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]acetic acid
CID 120515436
[3-(aminomethyl)pyrrolidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119486013
N-(4-aminocyclohexyl)-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119474529
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 40875796
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570635
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95222680
(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638024
6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119504737

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (CID 119377261) is (3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N3CCCC(N)C3)c12.
What is the InChIKey of (3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is SOCCAUJQEKTKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-20(2,3)10-16-17-14(19(25)24-8-4-5-13(21)11-24)9-15(12-6-7-12)22-18(17)26-23-16/h9,12-13H,4-8,10-11,21H2,1-3H3.
What are the key properties of (3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
(3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 119377261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).