[(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid

C12H18N4O3 — CID 67347099

IUPAC[(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid
SMILESCO[C@@H]1C[C@H](NC(=O)O)CN(c2ccncc2N)C1
InChIInChI=1S/C12H18N4O3/c1-19-9-4-8(15-12(17)18)6-16(7-9)11-2-3-14-5-10(11)13/h2-3,5,8-9,15H,4,6-7,13H2,1H3,(H,17,18)/t8-,9+/m0/s1
InChIKeyQDHIKFYNYXTHIH-DTWKUNHWSA-N
MW266.30 g/mol
LogP0.53
Rot. Bonds3

About [(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid

[(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid (PubChem CID 67347099) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is [(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid
PubChem CID67347099
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name[(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid
SMILESCO[C@@H]1C[C@H](NC(=O)O)CN(c2ccncc2N)C1
InChIInChI=1S/C12H18N4O3/c1-19-9-4-8(15-12(17)18)6-16(7-9)11-2-3-14-5-10(11)13/h2-3,5,8-9,15H,4,6-7,13H2,1H3,(H,17,18)/t8-,9+/m0/s1
InChIKeyQDHIKFYNYXTHIH-DTWKUNHWSA-N
XLogP0.53
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid?
The IUPAC name of [(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid (CID 67347099) is [(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid?
The canonical SMILES for [(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid is CO[C@@H]1C[C@H](NC(=O)O)CN(c2ccncc2N)C1.
What is the InChIKey of [(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid?
The InChIKey is QDHIKFYNYXTHIH-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-19-9-4-8(15-12(17)18)6-16(7-9)11-2-3-14-5-10(11)13/h2-3,5,8-9,15H,4,6-7,13H2,1H3,(H,17,18)/t8-,9+/m0/s1.
What are the key properties of [(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid?
[(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid has a molecular weight of 266.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid is sourced from PubChem (CID 67347099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).