[(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate

C13H18N4O3 — CID 90281112

IUPAC[(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate
SMILESNC(=O)O[C@H]1CCCN(c2c(N)cnc3c2CCO3)C1
InChIInChI=1S/C13H18N4O3/c14-10-6-16-12-9(3-5-19-12)11(10)17-4-1-2-8(7-17)20-13(15)18/h6,8H,1-5,7,14H2,(H2,15,18)/t8-/m0/s1
InChIKeyOVIZFTHFBOIGJQ-QMMMGPOBSA-N
MW278.31 g/mol
LogP0.66
Rot. Bonds2

About [(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate

[(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate (PubChem CID 90281112) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is [(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate
PubChem CID90281112
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name[(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate
SMILESNC(=O)O[C@H]1CCCN(c2c(N)cnc3c2CCO3)C1
InChIInChI=1S/C13H18N4O3/c14-10-6-16-12-9(3-5-19-12)11(10)17-4-1-2-8(7-17)20-13(15)18/h6,8H,1-5,7,14H2,(H2,15,18)/t8-/m0/s1
InChIKeyOVIZFTHFBOIGJQ-QMMMGPOBSA-N
XLogP0.66
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate?
The IUPAC name of [(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate (CID 90281112) is [(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate.
What is the SMILES notation for [(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate?
The canonical SMILES for [(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate is NC(=O)O[C@H]1CCCN(c2c(N)cnc3c2CCO3)C1.
What is the InChIKey of [(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate?
The InChIKey is OVIZFTHFBOIGJQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-10-6-16-12-9(3-5-19-12)11(10)17-4-1-2-8(7-17)20-13(15)18/h6,8H,1-5,7,14H2,(H2,15,18)/t8-/m0/s1.
What are the key properties of [(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate?
[(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate has a molecular weight of 278.31 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate is sourced from PubChem (CID 90281112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).