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

C25H25FN2O — CID 95809016

IUPAC(4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1
InChIInChI=1S/C25H25FN2O/c1-18-5-2-6-19(15-18)16-23-8-3-9-24(27-23)21-7-4-14-28(17-21)25(29)20-10-12-22(26)13-11-20/h2-3,5-6,8-13,15,21H,4,7,14,16-17H2,1H3/t21-/m0/s1
InChIKeyLRTLNXVRBISFEQ-NRFANRHFSA-N
MW388.49 g/mol
LogP5.14
Rot. Bonds4

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

(4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 95809016) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID95809016
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name(4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1
InChIInChI=1S/C25H25FN2O/c1-18-5-2-6-19(15-18)16-23-8-3-9-24(27-23)21-7-4-14-28(17-21)25(29)20-10-12-22(26)13-11-20/h2-3,5-6,8-13,15,21H,4,7,14,16-17H2,1H3/t21-/m0/s1
InChIKeyLRTLNXVRBISFEQ-NRFANRHFSA-N
XLogP5.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110254401
cyclopentyl-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809983
cyclobutyl-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110249572
2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810462
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95809516
[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 124976602
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
2-(dimethylamino)-1-[(3S)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810466
[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129454897
(3S)-N,N-dimethyl-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809648
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249321

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 95809016) is (4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone is Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1.
What is the InChIKey of (4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is LRTLNXVRBISFEQ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H25FN2O/c1-18-5-2-6-19(15-18)16-23-8-3-9-24(27-23)21-7-4-14-28(17-21)25(29)20-10-12-22(26)13-11-20/h2-3,5-6,8-13,15,21H,4,7,14,16-17H2,1H3/t21-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 388.49 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95809016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).