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

C13H23N3O2 — CID 68876252

IUPAC3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(N[C@H]1CCCNC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H23N3O2/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)/t9-,10?,11?,12?/m0/s1
InChIKeyKTWXSWSVNHAWGM-ZLMIFYAYSA-N
MW253.35 g/mol
LogP0.44
Rot. Bonds1

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

3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 68876252) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID68876252
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(N[C@H]1CCCNC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H23N3O2/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)/t9-,10?,11?,12?/m0/s1
InChIKeyKTWXSWSVNHAWGM-ZLMIFYAYSA-N
XLogP0.44
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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Related Compounds

3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032841
N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 127308548
N-[(3S)-piperidin-3-yl]piperidine-1-carboxamide
CID 104982501
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 78955075
(1S,5R)-N-[(3S)-1-(4-aminophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 68873576
3-methyl-N-piperidin-3-ylbut-2-enamide
CID 63321543
N-piperidin-3-ylpropanamide
CID 3520588
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 58656314
(2S)-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 89303395
N-(azepan-4-yl)pyrrolidine-1-carboxamide
CID 107172613

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 68876252) is 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide is 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?
The InChIKey is KTWXSWSVNHAWGM-ZLMIFYAYSA-N. The full InChI is InChI=1S/C13H23N3O2/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)/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?
3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.44, 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 is sourced from PubChem (CID 68876252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).