(Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile

C20H21N3 — CID 147531404

IUPAC(Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile
SMILESCc1ccc(/C=C(\C#N)c2ccc(C3CCNCC3)cc2)cn1
InChIInChI=1S/C20H21N3/c1-15-2-3-16(14-23-15)12-20(13-21)18-6-4-17(5-7-18)19-8-10-22-11-9-19/h2-7,12,14,19,22H,8-11H2,1H3/b20-12+
InChIKeyFNCOIOUEXMGFNO-UDWIEESQSA-N
MW303.41 g/mol
LogP3.92
Rot. Bonds3

About (Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile

(Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile (PubChem CID 147531404) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is (Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile
PubChem CID147531404
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name(Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile
SMILESCc1ccc(/C=C(\C#N)c2ccc(C3CCNCC3)cc2)cn1
InChIInChI=1S/C20H21N3/c1-15-2-3-16(14-23-15)12-20(13-21)18-6-4-17(5-7-18)19-8-10-22-11-9-19/h2-7,12,14,19,22H,8-11H2,1H3/b20-12+
InChIKeyFNCOIOUEXMGFNO-UDWIEESQSA-N
XLogP3.92
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile (CID 147531404) is (Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile is Cc1ccc(/C=C(\C#N)c2ccc(C3CCNCC3)cc2)cn1.
What is the InChIKey of (Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile?
The InChIKey is FNCOIOUEXMGFNO-UDWIEESQSA-N. The full InChI is InChI=1S/C20H21N3/c1-15-2-3-16(14-23-15)12-20(13-21)18-6-4-17(5-7-18)19-8-10-22-11-9-19/h2-7,12,14,19,22H,8-11H2,1H3/b20-12+.
What are the key properties of (Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile?
(Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile has a molecular weight of 303.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(6-methyl-3-pyridinyl)-2-(4-piperidin-4-ylphenyl)prop-2-enenitrile is sourced from PubChem (CID 147531404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).