6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile

C23H25FN4O — CID 141274940

IUPAC6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)N3CCC(c4ccc(F)cc4)CC3)CC2)nc1
InChIInChI=1S/C23H25FN4O/c24-21-4-2-18(3-5-21)19-7-13-28(14-8-19)23(29)20-9-11-27(12-10-20)22-6-1-17(15-25)16-26-22/h1-6,16,19-20H,7-14H2
InChIKeyRWOXQGMAIPOPMF-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.71
Rot. Bonds3

About 6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 141274940) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID141274940
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)N3CCC(c4ccc(F)cc4)CC3)CC2)nc1
InChIInChI=1S/C23H25FN4O/c24-21-4-2-18(3-5-21)19-7-13-28(14-8-19)23(29)20-9-11-27(12-10-20)22-6-1-17(15-25)16-26-22/h1-6,16,19-20H,7-14H2
InChIKeyRWOXQGMAIPOPMF-UHFFFAOYSA-N
XLogP3.71
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile (CID 141274940) is 6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(C(=O)N3CCC(c4ccc(F)cc4)CC3)CC2)nc1.
What is the InChIKey of 6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RWOXQGMAIPOPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c24-21-4-2-18(3-5-21)19-7-13-28(14-8-19)23(29)20-9-11-27(12-10-20)22-6-1-17(15-25)16-26-22/h1-6,16,19-20H,7-14H2.
What are the key properties of 6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 392.48 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 141274940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).