3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride

C13H24ClN3O2 — CID 68876251

IUPAC3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride
SMILESCl.O=C(N[C@H]1CCCNC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H23N3O2.ClH/c17-12-6-10-3-4-11(7-12)16(10)13(18)15-9-2-1-5-14-8-9;/h9-12,14,17H,1-8H2,(H,15,18);1H/t9-,10?,11?,12?;/m0./s1
InChIKeyJFZULPUHHNFCGI-ZBOMDNBJSA-N
MW289.81 g/mol
LogP0.86
Rot. Bonds1

About 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride

3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride (PubChem CID 68876251) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride
PubChem CID68876251
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride
SMILESCl.O=C(N[C@H]1CCCNC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H23N3O2.ClH/c17-12-6-10-3-4-11(7-12)16(10)13(18)15-9-2-1-5-14-8-9;/h9-12,14,17H,1-8H2,(H,15,18);1H/t9-,10?,11?,12?;/m0./s1
InChIKeyJFZULPUHHNFCGI-ZBOMDNBJSA-N
XLogP0.86
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride?
The IUPAC name of 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride (CID 68876251) is 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride.
What is the SMILES notation for 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride?
The canonical SMILES for 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride is Cl.O=C(N[C@H]1CCCNC1)N1C2CCC1CC(O)C2.
What is the InChIKey of 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride?
The InChIKey is JFZULPUHHNFCGI-ZBOMDNBJSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c17-12-6-10-3-4-11(7-12)16(10)13(18)15-9-2-1-5-14-8-9;/h9-12,14,17H,1-8H2,(H,15,18);1H/t9-,10?,11?,12?;/m0./s1.
What are the key properties of 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride?
3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride is sourced from PubChem (CID 68876251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).