(3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone

C27H36FN3O2 — CID 42368051

IUPAC(3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESCN1CCC(N(C)Cc2cccc(OC[C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)c2)CC1
InChIInChI=1S/C27H36FN3O2/c1-29-14-11-25(12-15-29)30(2)18-21-6-3-10-26(16-21)33-20-22-7-5-13-31(19-22)27(32)23-8-4-9-24(28)17-23/h3-4,6,8-10,16-17,22,25H,5,7,11-15,18-20H2,1-2H3/t22-/m1/s1
InChIKeyMZJVCVNEMOHZFB-JOCHJYFZSA-N
MW453.60 g/mol
LogP4.28
Rot. Bonds7

About (3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone

(3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone (PubChem CID 42368051) has the molecular formula C27H36FN3O2 and a molecular weight of 453.60 g/mol. Its IUPAC name is (3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
PubChem CID42368051
Molecular FormulaC27H36FN3O2
Molecular Weight453.60 g/mol
Exact Mass453.28
IUPAC Name(3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESCN1CCC(N(C)Cc2cccc(OC[C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)c2)CC1
InChIInChI=1S/C27H36FN3O2/c1-29-14-11-25(12-15-29)30(2)18-21-6-3-10-26(16-21)33-20-22-7-5-13-31(19-22)27(32)23-8-4-9-24(28)17-23/h3-4,6,8-10,16-17,22,25H,5,7,11-15,18-20H2,1-2H3/t22-/m1/s1
InChIKeyMZJVCVNEMOHZFB-JOCHJYFZSA-N
XLogP4.28
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.60
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42499458
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
[(3R)-3-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]methyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42162569
[(3R)-3-aminopiperidin-1-yl]-[3-[(3-fluorophenoxy)methyl]phenyl]methanone
CID 124593731
[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[3-(hydroxymethyl)phenyl]methanone
CID 95885966
1-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70770060
[3-[[1-(2-chloro-5-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846654
imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 45211254
[3-[[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 92900752
[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 70756243
[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 95726991
[3-[[1-(2-methylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50847103

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone (CID 42368051) is (3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone is CN1CCC(N(C)Cc2cccc(OC[C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)c2)CC1.
What is the InChIKey of (3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The InChIKey is MZJVCVNEMOHZFB-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H36FN3O2/c1-29-14-11-25(12-15-29)30(2)18-21-6-3-10-26(16-21)33-20-22-7-5-13-31(19-22)27(32)23-8-4-9-24(28)17-23/h3-4,6,8-10,16-17,22,25H,5,7,11-15,18-20H2,1-2H3/t22-/m1/s1.
What are the key properties of (3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone?
(3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone has a molecular weight of 453.60 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42368051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).