4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile

C17H24N4O3 — CID 56873549

IUPAC4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)c1C#N
InChIInChI=1S/C17H24N4O3/c1-24-17-13(10-18)14(2-6-19-17)21-9-5-15(16(23)11-21)20-7-3-12(22)4-8-20/h2,6,12,15-16,22-23H,3-5,7-9,11H2,1H3/t15-,16-/m1/s1
InChIKeyAMWWLEWHVLJSRA-HZPDHXFCSA-N
MW332.40 g/mol
LogP0.36
Rot. Bonds3

About 4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile

4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile (PubChem CID 56873549) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile
PubChem CID56873549
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)c1C#N
InChIInChI=1S/C17H24N4O3/c1-24-17-13(10-18)14(2-6-19-17)21-9-5-15(16(23)11-21)20-7-3-12(22)4-8-20/h2,6,12,15-16,22-23H,3-5,7-9,11H2,1H3/t15-,16-/m1/s1
InChIKeyAMWWLEWHVLJSRA-HZPDHXFCSA-N
XLogP0.36
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile (CID 56873549) is 4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile is COc1nccc(N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)c1C#N.
What is the InChIKey of 4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile?
The InChIKey is AMWWLEWHVLJSRA-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-24-17-13(10-18)14(2-6-19-17)21-9-5-15(16(23)11-21)20-7-3-12(22)4-8-20/h2,6,12,15-16,22-23H,3-5,7-9,11H2,1H3/t15-,16-/m1/s1.
What are the key properties of 4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile?
4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile has a molecular weight of 332.40 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 56873549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).