5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

C20H20FN3O2 — CID 70786240

IUPAC5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c(C(=O)N2CCC(Cc3ccccc3F)CC2)c[nH]c(=O)c1C#N
InChIInChI=1S/C20H20FN3O2/c1-13-16(11-22)19(25)23-12-17(13)20(26)24-8-6-14(7-9-24)10-15-4-2-3-5-18(15)21/h2-5,12,14H,6-10H2,1H3,(H,23,25)
InChIKeyDNIFCXYHFLPEQL-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.79
Rot. Bonds3

About 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70786240) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID70786240
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c(C(=O)N2CCC(Cc3ccccc3F)CC2)c[nH]c(=O)c1C#N
InChIInChI=1S/C20H20FN3O2/c1-13-16(11-22)19(25)23-12-17(13)20(26)24-8-6-14(7-9-24)10-15-4-2-3-5-18(15)21/h2-5,12,14H,6-10H2,1H3,(H,23,25)
InChIKeyDNIFCXYHFLPEQL-UHFFFAOYSA-N
XLogP2.79
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-cyano-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 2381783
N-(3,3-diphenylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 7546299
N-[4,4-Bis-(4-fluorophenyl)-propyl]-6-hydroxy-nicotinamide
CID 44475364
1-(3-Methylbutyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 59234239
1-(Cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
CID 118714749
2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 6262747
1-Butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 118714742
1-(2-Methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 118714743
2-Oxo-4-(4-phenylpiperidin-1-yl)-1-(4,4,4-trifluorobutyl)pyridine-3-carbonitrile
CID 118714746
1-(Cyclopropylmethyl)-4-[4-(2-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
CID 118714747
1-(Cyclopropylmethyl)-4-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
CID 118714748
1-(Cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
CID 118714755

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 70786240) is 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1c(C(=O)N2CCC(Cc3ccccc3F)CC2)c[nH]c(=O)c1C#N.
What is the InChIKey of 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DNIFCXYHFLPEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-16(11-22)19(25)23-12-17(13)20(26)24-8-6-14(7-9-24)10-15-4-2-3-5-18(15)21/h2-5,12,14H,6-10H2,1H3,(H,23,25).
What are the key properties of 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 353.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70786240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).