2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide

C19H22FN3O — CID 95869834

IUPAC2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCC[C@H](CCc2ccccc2F)C1
InChIInChI=1S/C19H22FN3O/c20-17-8-2-1-6-15(17)10-9-14-5-4-12-23(13-14)19-16(18(21)24)7-3-11-22-19/h1-3,6-8,11,14H,4-5,9-10,12-13H2,(H2,21,24)/t14-/m1/s1
InChIKeyOHJAOGMGSFSERJ-CQSZACIVSA-N
MW327.40 g/mol
LogP3.17
Rot. Bonds5

About 2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide

2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 95869834) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID95869834
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCC[C@H](CCc2ccccc2F)C1
InChIInChI=1S/C19H22FN3O/c20-17-8-2-1-6-15(17)10-9-14-5-4-12-23(13-14)19-16(18(21)24)7-3-11-22-19/h1-3,6-8,11,14H,4-5,9-10,12-13H2,(H2,21,24)/t14-/m1/s1
InChIKeyOHJAOGMGSFSERJ-CQSZACIVSA-N
XLogP3.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide (CID 95869834) is 2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCC[C@H](CCc2ccccc2F)C1.
What is the InChIKey of 2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is OHJAOGMGSFSERJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-17-8-2-1-6-15(17)10-9-14-5-4-12-23(13-14)19-16(18(21)24)7-3-11-22-19/h1-3,6-8,11,14H,4-5,9-10,12-13H2,(H2,21,24)/t14-/m1/s1.
What are the key properties of 2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide?
2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95869834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).