1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone

C24H24FN3O — CID 95809788

IUPAC1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1
InChIInChI=1S/C24H24FN3O/c25-21-8-6-18(7-9-21)15-22-4-1-5-23(27-22)20-3-2-14-28(17-20)24(29)16-19-10-12-26-13-11-19/h1,4-13,20H,2-3,14-17H2/t20-/m0/s1
InChIKeyYXMGUOZXOQBWDQ-FQEVSTJZSA-N
MW389.47 g/mol
LogP4.16
Rot. Bonds5

About 1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone

1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone (PubChem CID 95809788) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
PubChem CID95809788
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1
InChIInChI=1S/C24H24FN3O/c25-21-8-6-18(7-9-21)15-22-4-1-5-23(27-22)20-3-2-14-28(17-20)24(29)16-19-10-12-26-13-11-19/h1,4-13,20H,2-3,14-17H2/t20-/m0/s1
InChIKeyYXMGUOZXOQBWDQ-FQEVSTJZSA-N
XLogP4.16
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-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-pyridin-4-yl-1-[(3S)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95809801
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249683
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 110249442
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809769
1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819071
[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110151388
1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249351
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679
1-[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809899
3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 95809940

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone (CID 95809788) is 1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The InChIKey is YXMGUOZXOQBWDQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24FN3O/c25-21-8-6-18(7-9-21)15-22-4-1-5-23(27-22)20-3-2-14-28(17-20)24(29)16-19-10-12-26-13-11-19/h1,4-13,20H,2-3,14-17H2/t20-/m0/s1.
What are the key properties of 1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone?
1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone has a molecular weight of 389.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 95809788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).