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

C24H24FN3O — CID 95816331

IUPAC[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1
InChIInChI=1S/C24H24FN3O/c1-17-12-19(13-18-6-8-22(25)9-7-18)14-23(27-17)21-5-3-11-28(16-21)24(29)20-4-2-10-26-15-20/h2,4,6-10,12,14-15,21H,3,5,11,13,16H2,1H3/t21-/m0/s1
InChIKeyRZCOPXCNBHPILT-NRFANRHFSA-N
MW389.47 g/mol
LogP4.53
Rot. Bonds4

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

[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95816331) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95816331
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1
InChIInChI=1S/C24H24FN3O/c1-17-12-19(13-18-6-8-22(25)9-7-18)14-23(27-17)21-5-3-11-28(16-21)24(29)20-4-2-10-26-15-20/h2,4,6-10,12,14-15,21H,3,5,11,13,16H2,1H3/t21-/m0/s1
InChIKeyRZCOPXCNBHPILT-NRFANRHFSA-N
XLogP4.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-3-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816332
[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110253819
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95816441
[2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110252773
4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 95814535
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95816362
[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809449
[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95814285
[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110252560
[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124949743
N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
CID 110253883
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95814437

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 95816331) is [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone is Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1.
What is the InChIKey of [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is RZCOPXCNBHPILT-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-17-12-19(13-18-6-8-22(25)9-7-18)14-23(27-17)21-5-3-11-28(16-21)24(29)20-4-2-10-26-15-20/h2,4,6-10,12,14-15,21H,3,5,11,13,16H2,1H3/t21-/m0/s1.
What are the key properties of [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 389.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95816331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).