2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone

C23H28FN3O — CID 110249315

IUPAC2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCCC(c2cccc(-c3ccccc3F)n2)C1)N1CCCCC1
InChIInChI=1S/C23H28FN3O/c24-20-10-3-2-9-19(20)22-12-6-11-21(25-22)18-8-7-13-26(16-18)17-23(28)27-14-4-1-5-15-27/h2-3,6,9-12,18H,1,4-5,7-8,13-17H2
InChIKeyIAKWGUVSKLOYSJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.08
Rot. Bonds4

About 2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone

2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 110249315) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID110249315
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCCC(c2cccc(-c3ccccc3F)n2)C1)N1CCCCC1
InChIInChI=1S/C23H28FN3O/c24-20-10-3-2-9-19(20)22-12-6-11-21(25-22)18-8-7-13-26(16-18)17-23(28)27-14-4-1-5-15-27/h2-3,6,9-12,18H,1,4-5,7-8,13-17H2
InChIKeyIAKWGUVSKLOYSJ-UHFFFAOYSA-N
XLogP4.08
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258535
2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809145
2-(2-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809144
1-[(3S)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809900
[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249747
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249321
2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809063
2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809077
1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249351
1-piperidin-1-yl-2-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819609
[(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 129454658
1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95810071

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone (CID 110249315) is 2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCCC(c2cccc(-c3ccccc3F)n2)C1)N1CCCCC1.
What is the InChIKey of 2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is IAKWGUVSKLOYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c24-20-10-3-2-9-19(20)22-12-6-11-21(25-22)18-8-7-13-26(16-18)17-23(28)27-14-4-1-5-15-27/h2-3,6,9-12,18H,1,4-5,7-8,13-17H2.
What are the key properties of 2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone?
2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 381.50 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 110249315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).