N-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide

C23H21FN4O — CID 71914560

IUPACN-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide
SMILESN#CCc1cc2ccccc2nc1N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H21FN4O/c24-19-7-5-16(6-8-19)23(29)26-20-10-13-28(14-11-20)22-18(9-12-25)15-17-3-1-2-4-21(17)27-22/h1-8,15,20H,9-11,13-14H2,(H,26,29)
InChIKeyWRAWAONAAYBNDZ-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.84
Rot. Bonds4

About N-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide

N-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 71914560) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID71914560
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC NameN-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide
SMILESN#CCc1cc2ccccc2nc1N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H21FN4O/c24-19-7-5-16(6-8-19)23(29)26-20-10-13-28(14-11-20)22-18(9-12-25)15-17-3-1-2-4-21(17)27-22/h1-8,15,20H,9-11,13-14H2,(H,26,29)
InChIKeyWRAWAONAAYBNDZ-UHFFFAOYSA-N
XLogP3.84
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide (CID 71914560) is N-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide is N#CCc1cc2ccccc2nc1N1CCC(NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is WRAWAONAAYBNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-19-7-5-16(6-8-19)23(29)26-20-10-13-28(14-11-20)22-18(9-12-25)15-17-3-1-2-4-21(17)27-22/h1-8,15,20H,9-11,13-14H2,(H,26,29).
What are the key properties of N-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide?
N-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 388.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyanomethyl)quinolin-2-yl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 71914560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).