(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone

C21H21FN4O — CID 95838773

IUPAC(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1nccn1-c1cccc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C21H21FN4O/c1-15-23-11-13-26(15)20-6-2-5-19(24-20)17-4-3-12-25(14-17)21(27)16-7-9-18(22)10-8-16/h2,5-11,13,17H,3-4,12,14H2,1H3/t17-/m0/s1
InChIKeyQERHSYQMAQBOAL-KRWDZBQOSA-N
MW364.42 g/mol
LogP3.73
Rot. Bonds3

About (4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone

(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 95838773) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID95838773
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1nccn1-c1cccc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C21H21FN4O/c1-15-23-11-13-26(15)20-6-2-5-19(24-20)17-4-3-12-25(14-17)21(27)16-7-9-18(22)10-8-16/h2,5-11,13,17H,3-4,12,14H2,1H3/t17-/m0/s1
InChIKeyQERHSYQMAQBOAL-KRWDZBQOSA-N
XLogP3.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone 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

[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95838774
(4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838776
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95838783
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine
CID 95839144
1-[(3R)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95838897
1-[3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110267979
2-[(3R)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95839072
3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95839172
(4-fluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093694
[(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95810867
(4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809016

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone (CID 95838773) is (4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone is Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of (4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is QERHSYQMAQBOAL-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-15-23-11-13-26(15)20-6-2-5-19(24-20)17-4-3-12-25(14-17)21(27)16-7-9-18(22)10-8-16/h2,5-11,13,17H,3-4,12,14H2,1H3/t17-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 364.42 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95838773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).