1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile

C22H25N3O — CID 118714745

IUPAC1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CCC2CC2)c1=O
InChIInChI=1S/C22H25N3O/c23-16-20-21(11-15-25(22(20)26)12-8-17-6-7-17)24-13-9-19(10-14-24)18-4-2-1-3-5-18/h1-5,11,15,17,19H,6-10,12-14H2
InChIKeyORNXCULLRYHKRQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.90
Rot. Bonds5

About 1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile

1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 118714745) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID118714745
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CCC2CC2)c1=O
InChIInChI=1S/C22H25N3O/c23-16-20-21(11-15-25(22(20)26)12-8-17-6-7-17)24-13-9-19(10-14-24)18-4-2-1-3-5-18/h1-5,11,15,17,19H,6-10,12-14H2
InChIKeyORNXCULLRYHKRQ-UHFFFAOYSA-N
XLogP3.90
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile (CID 118714745) is 1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile is N#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CCC2CC2)c1=O.
What is the InChIKey of 1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is ORNXCULLRYHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c23-16-20-21(11-15-25(22(20)26)12-8-17-6-7-17)24-13-9-19(10-14-24)18-4-2-1-3-5-18/h1-5,11,15,17,19H,6-10,12-14H2.
What are the key properties of 1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 347.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 118714745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).