4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile

C17H23N3O2 — CID 97151960

IUPAC4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CCC[C@@](CO)(CC3CC3)C2)c1C#N
InChIInChI=1S/C17H23N3O2/c1-22-16-14(10-18)15(5-7-19-16)20-8-2-6-17(11-20,12-21)9-13-3-4-13/h5,7,13,21H,2-4,6,8-9,11-12H2,1H3/t17-/m1/s1
InChIKeyMDAYGWJFUVSZIT-QGZVFWFLSA-N
MW301.39 g/mol
LogP2.34
Rot. Bonds5

About 4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile

4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile (PubChem CID 97151960) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile
PubChem CID97151960
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CCC[C@@](CO)(CC3CC3)C2)c1C#N
InChIInChI=1S/C17H23N3O2/c1-22-16-14(10-18)15(5-7-19-16)20-8-2-6-17(11-20,12-21)9-13-3-4-13/h5,7,13,21H,2-4,6,8-9,11-12H2,1H3/t17-/m1/s1
InChIKeyMDAYGWJFUVSZIT-QGZVFWFLSA-N
XLogP2.34
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile (CID 97151960) is 4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile is COc1nccc(N2CCC[C@@](CO)(CC3CC3)C2)c1C#N.
What is the InChIKey of 4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile?
The InChIKey is MDAYGWJFUVSZIT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-22-16-14(10-18)15(5-7-19-16)20-8-2-6-17(11-20,12-21)9-13-3-4-13/h5,7,13,21H,2-4,6,8-9,11-12H2,1H3/t17-/m1/s1.
What are the key properties of 4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile?
4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile has a molecular weight of 301.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 97151960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).