1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile

C21H22FN3O — CID 118714749

IUPAC1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccc(F)cc3)CC2)ccn(CC2CC2)c1=O
InChIInChI=1S/C21H22FN3O/c22-18-5-3-16(4-6-18)17-7-10-24(11-8-17)20-9-12-25(14-15-1-2-15)21(26)19(20)13-23/h3-6,9,12,15,17H,1-2,7-8,10-11,14H2
InChIKeyQBTUIJGYKAOREZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.65
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile

1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile (PubChem CID 118714749) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
PubChem CID118714749
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccc(F)cc3)CC2)ccn(CC2CC2)c1=O
InChIInChI=1S/C21H22FN3O/c22-18-5-3-16(4-6-18)17-7-10-24(11-8-17)20-9-12-25(14-15-1-2-15)21(26)19(20)13-23/h3-6,9,12,15,17H,1-2,7-8,10-11,14H2
InChIKeyQBTUIJGYKAOREZ-UHFFFAOYSA-N
XLogP3.65
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile (CID 118714749) is 1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile is N#Cc1c(N2CCC(c3ccc(F)cc3)CC2)ccn(CC2CC2)c1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile?
The InChIKey is QBTUIJGYKAOREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-18-5-3-16(4-6-18)17-7-10-24(11-8-17)20-9-12-25(14-15-1-2-15)21(26)19(20)13-23/h3-6,9,12,15,17H,1-2,7-8,10-11,14H2.
What are the key properties of 1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile?
1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile has a molecular weight of 351.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 118714749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).