(2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone

C21H26FN3O — CID 109158502

IUPAC(2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCCc2ccccc2F)nc1
InChIInChI=1S/C21H26FN3O/c1-2-18-8-5-6-14-25(18)21(26)17-10-11-20(24-15-17)23-13-12-16-7-3-4-9-19(16)22/h3-4,7,9-11,15,18H,2,5-6,8,12-14H2,1H3,(H,23,24)
InChIKeyZFNOWICWOMFOQV-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.28
Rot. Bonds6

About (2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone

(2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone (PubChem CID 109158502) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone
PubChem CID109158502
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name(2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCCc2ccccc2F)nc1
InChIInChI=1S/C21H26FN3O/c1-2-18-8-5-6-14-25(18)21(26)17-10-11-20(24-15-17)23-13-12-16-7-3-4-9-19(16)22/h3-4,7,9-11,15,18H,2,5-6,8,12-14H2,1H3,(H,23,24)
InChIKeyZFNOWICWOMFOQV-UHFFFAOYSA-N
XLogP4.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109161654
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 104691838
(2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone
CID 109161690
6-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109098541
[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109151990
4-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149064
(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257901
[6-(ethylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62165751
(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63971232
4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109086427

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone (CID 109158502) is (2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone is CCC1CCCCN1C(=O)c1ccc(NCCc2ccccc2F)nc1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone?
The InChIKey is ZFNOWICWOMFOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-2-18-8-5-6-14-25(18)21(26)17-10-11-20(24-15-17)23-13-12-16-7-3-4-9-19(16)22/h3-4,7,9-11,15,18H,2,5-6,8,12-14H2,1H3,(H,23,24).
What are the key properties of (2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone?
(2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone has a molecular weight of 355.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 109158502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).