2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

C20H27N5O4 — CID 166355619

IUPAC2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(c2nc(-c3cc4c([nH]c3=O)CCNC4)no2)CC1
InChIInChI=1S/C20H27N5O4/c1-12(2)11-28-20(27)25-7-4-13(5-8-25)19-23-17(24-29-19)15-9-14-10-21-6-3-16(14)22-18(15)26/h9,12-13,21H,3-8,10-11H2,1-2H3,(H,22,26)
InChIKeyNLWNHXNXFSINHO-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.04
Rot. Bonds4

About 2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate (PubChem CID 166355619) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
PubChem CID166355619
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(c2nc(-c3cc4c([nH]c3=O)CCNC4)no2)CC1
InChIInChI=1S/C20H27N5O4/c1-12(2)11-28-20(27)25-7-4-13(5-8-25)19-23-17(24-29-19)15-9-14-10-21-6-3-16(14)22-18(15)26/h9,12-13,21H,3-8,10-11H2,1-2H3,(H,22,26)
InChIKeyNLWNHXNXFSINHO-UHFFFAOYSA-N
XLogP2.04
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 166355635
3-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
CID 167956245
3-[5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
CID 166355547
3-[5-(2-cyclopentyl-1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
CID 167902752
2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate
CID 142773337
3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 91778298
tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134478427
ethyl 4-[4-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzoate
CID 167992461
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
[(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 167901383
(2R)-2-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870841

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate (CID 166355619) is 2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(c2nc(-c3cc4c([nH]c3=O)CCNC4)no2)CC1.
What is the InChIKey of 2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The InChIKey is NLWNHXNXFSINHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-12(2)11-28-20(27)25-7-4-13(5-8-25)19-23-17(24-29-19)15-9-14-10-21-6-3-16(14)22-18(15)26/h9,12-13,21H,3-8,10-11H2,1-2H3,(H,22,26).
What are the key properties of 2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[3-(2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 166355619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).