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

C22H25N3O — CID 118714744

IUPAC1-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CC2CCC2)c1=O
InChIInChI=1S/C22H25N3O/c23-15-20-21(11-14-25(22(20)26)16-17-5-4-6-17)24-12-9-19(10-13-24)18-7-2-1-3-8-18/h1-3,7-8,11,14,17,19H,4-6,9-10,12-13,16H2
InChIKeyFPMNORHIAMFQIJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.90
Rot. Bonds4

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

1-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 118714744) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID118714744
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CC2CCC2)c1=O
InChIInChI=1S/C22H25N3O/c23-15-20-21(11-14-25(22(20)26)16-17-5-4-6-17)24-12-9-19(10-13-24)18-7-2-1-3-8-18/h1-3,7-8,11,14,17,19H,4-6,9-10,12-13,16H2
InChIKeyFPMNORHIAMFQIJ-UHFFFAOYSA-N
XLogP3.90
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 1-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile (CID 118714744) is 1-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 1-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile is N#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CC2CCC2)c1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is FPMNORHIAMFQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c23-15-20-21(11-14-25(22(20)26)16-17-5-4-6-17)24-12-9-19(10-13-24)18-7-2-1-3-8-18/h1-3,7-8,11,14,17,19H,4-6,9-10,12-13,16H2.
What are the key properties of 1-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
1-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 347.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 118714744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).