3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole

C28H30FN3O — CID 110093349

IUPAC3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole
SMILESCOc1ccc2c(CN3CCCC(c4ccc(Cc5ccc(F)cc5)cn4)C3)cn(C)c2c1
InChIInChI=1S/C28H30FN3O/c1-31-17-23(26-11-10-25(33-2)15-28(26)31)19-32-13-3-4-22(18-32)27-12-7-21(16-30-27)14-20-5-8-24(29)9-6-20/h5-12,15-17,22H,3-4,13-14,18-19H2,1-2H3
InChIKeyMOJUJYWNUJEASP-UHFFFAOYSA-N
MW443.57 g/mol
LogP5.69
Rot. Bonds6

About 3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole

3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole (PubChem CID 110093349) has the molecular formula C28H30FN3O and a molecular weight of 443.57 g/mol. Its IUPAC name is 3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole.

Molecular Properties

Compound Name3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole
PubChem CID110093349
Molecular FormulaC28H30FN3O
Molecular Weight443.57 g/mol
Exact Mass443.24
IUPAC Name3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole
SMILESCOc1ccc2c(CN3CCCC(c4ccc(Cc5ccc(F)cc5)cn4)C3)cn(C)c2c1
InChIInChI=1S/C28H30FN3O/c1-31-17-23(26-11-10-25(33-2)15-28(26)31)19-32-13-3-4-22(18-32)27-12-7-21(16-30-27)14-20-5-8-24(29)9-6-20/h5-12,15-17,22H,3-4,13-14,18-19H2,1-2H3
InChIKeyMOJUJYWNUJEASP-UHFFFAOYSA-N
XLogP5.69
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole with MolForge

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Related Compounds

5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine
CID 110093308
N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
CID 110093298
2-[(3R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-5-[(3-methoxyphenyl)methyl]pyridine
CID 92616452
1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 92615659
5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252516
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351
4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
CID 125007611
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479392
(3R,8aR)-2-[(6-methoxy-1-methylindol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792219
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401758
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615594
(1,3-dimethylpyrazol-4-yl)-[3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264048

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole?
The IUPAC name of 3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole (CID 110093349) is 3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole.
What is the SMILES notation for 3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole?
The canonical SMILES for 3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole is COc1ccc2c(CN3CCCC(c4ccc(Cc5ccc(F)cc5)cn4)C3)cn(C)c2c1.
What is the InChIKey of 3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole?
The InChIKey is MOJUJYWNUJEASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O/c1-31-17-23(26-11-10-25(33-2)15-28(26)31)19-32-13-3-4-22(18-32)27-12-7-21(16-30-27)14-20-5-8-24(29)9-6-20/h5-12,15-17,22H,3-4,13-14,18-19H2,1-2H3.
What are the key properties of 3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole?
3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole has a molecular weight of 443.57 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole is sourced from PubChem (CID 110093349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).