2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone

C29H34FN3O4 — CID 124957169

IUPAC2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
SMILESCc1c(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)c2ccccc2n1C
InChIInChI=1S/C29H34FN3O4/c1-21-27(24-6-3-4-7-25(24)31(21)2)28(35)33-13-5-12-29(19-33,18-26(34)32-14-16-36-17-15-32)20-37-23-10-8-22(30)9-11-23/h3-4,6-11H,5,12-20H2,1-2H3/t29-/m1/s1
InChIKeyFWYPWURCKMZHSK-GDLZYMKVSA-N
MW507.61 g/mol
LogP4.18
Rot. Bonds6

About 2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone

2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone (PubChem CID 124957169) has the molecular formula C29H34FN3O4 and a molecular weight of 507.61 g/mol. Its IUPAC name is 2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
PubChem CID124957169
Molecular FormulaC29H34FN3O4
Molecular Weight507.61 g/mol
Exact Mass507.25
IUPAC Name2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
SMILESCc1c(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)c2ccccc2n1C
InChIInChI=1S/C29H34FN3O4/c1-21-27(24-6-3-4-7-25(24)31(21)2)28(35)33-13-5-12-29(19-33,18-26(34)32-14-16-36-17-15-32)20-37-23-10-8-22(30)9-11-23/h3-4,6-11H,5,12-20H2,1-2H3/t29-/m1/s1
InChIKeyFWYPWURCKMZHSK-GDLZYMKVSA-N
XLogP4.18
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.61
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080364
1-[(3R)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 124944454
2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080756
2-[1-(2,4-difluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080289
2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 155990434
2-[(3S)-1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124977004
2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080741
2-[(3R)-1-benzoyl-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124946304
2-[(3R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 125000328
2-[1-(4-chloro-1-propylpyrazole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080316
2-[(3R)-1-(2-fluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 124992143
2-[1-(2-chlorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 110080234

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone (CID 124957169) is 2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone is Cc1c(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)c2ccccc2n1C.
What is the InChIKey of 2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone?
The InChIKey is FWYPWURCKMZHSK-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H34FN3O4/c1-21-27(24-6-3-4-7-25(24)31(21)2)28(35)33-13-5-12-29(19-33,18-26(34)32-14-16-36-17-15-32)20-37-23-10-8-22(30)9-11-23/h3-4,6-11H,5,12-20H2,1-2H3/t29-/m1/s1.
What are the key properties of 2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone?
2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 507.61 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 124957169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).