(3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone

C25H30FN3O2 — CID 124985103

IUPAC(3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCC[C@H](Cc3ccccn3)C2)CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C25H30FN3O2/c1-25(10-14-28(15-11-25)23(30)20-7-4-8-21(26)17-20)24(31)29-13-5-6-19(18-29)16-22-9-2-3-12-27-22/h2-4,7-9,12,17,19H,5-6,10-11,13-16,18H2,1H3/t19-/m1/s1
InChIKeyNPOKIRUZQBLZIM-LJQANCHMSA-N
MW423.53 g/mol
LogP3.94
Rot. Bonds4

About (3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone

(3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 124985103) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID124985103
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name(3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCC[C@H](Cc3ccccn3)C2)CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C25H30FN3O2/c1-25(10-14-28(15-11-25)23(30)20-7-4-8-21(26)17-20)24(31)29-13-5-6-19(18-29)16-22-9-2-3-12-27-22/h2-4,7-9,12,17,19H,5-6,10-11,13-16,18H2,1H3/t19-/m1/s1
InChIKeyNPOKIRUZQBLZIM-LJQANCHMSA-N
XLogP3.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
(2-cyclopropylpyrimidin-5-yl)-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 125026604
6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124996307
[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 175652360
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
(3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone
CID 124958777
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124986057
2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 124995942
(3-fluorophenyl)-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 3683624
[4-[4-(isoquinolin-8-ylmethyl)azepane-1-carbonyl]-4-methylpiperidin-1-yl]-phenylmethanone
CID 132767826

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone (CID 124985103) is (3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone is CC1(C(=O)N2CCC[C@H](Cc3ccccn3)C2)CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is NPOKIRUZQBLZIM-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-25(10-14-28(15-11-25)23(30)20-7-4-8-21(26)17-20)24(31)29-13-5-6-19(18-29)16-22-9-2-3-12-27-22/h2-4,7-9,12,17,19H,5-6,10-11,13-16,18H2,1H3/t19-/m1/s1.
What are the key properties of (3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
(3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 423.53 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124985103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).