(5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone

C24H30FN3O2 — CID 42196001

IUPAC(5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)[C@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C24H30FN3O2/c1-30-23-8-7-19(25)15-22(23)24(29)18-5-4-12-28(16-18)21-9-13-27(14-10-21)17-20-6-2-3-11-26-20/h2-3,6-8,11,15,18,21H,4-5,9-10,12-14,16-17H2,1H3/t18-/m0/s1
InChIKeyXEAOYOOEWMDBDA-SFHVURJKSA-N
MW411.52 g/mol
LogP3.79
Rot. Bonds6

About (5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone

(5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 42196001) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID42196001
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name(5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)[C@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C24H30FN3O2/c1-30-23-8-7-19(25)15-22(23)24(29)18-5-4-12-28(16-18)21-9-13-27(14-10-21)17-20-6-2-3-11-26-20/h2-3,6-8,11,15,18,21H,4-5,9-10,12-14,16-17H2,1H3/t18-/m0/s1
InChIKeyXEAOYOOEWMDBDA-SFHVURJKSA-N
XLogP3.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 25457872
(5-fluoro-2-methoxyphenyl)-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone
CID 45206328
2-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]benzonitrile
CID 95550185
1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 25453186
(5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone
CID 42591548
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914
(3R)-1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580415
(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96571119
(5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 56909608
[1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 24791060
(3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 42191325
5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide
CID 124952867

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 42196001) is (5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is COc1ccc(F)cc1C(=O)[C@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is XEAOYOOEWMDBDA-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-30-23-8-7-19(25)15-22(23)24(29)18-5-4-12-28(16-18)21-9-13-27(14-10-21)17-20-6-2-3-11-26-20/h2-3,6-8,11,15,18,21H,4-5,9-10,12-14,16-17H2,1H3/t18-/m0/s1.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 411.52 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 42196001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).