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

C25H28FN3O3 — CID 110080364

IUPAC2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
SMILESCc1c(C(=O)N2CCCC(COc3ccc(F)cc3)(CC(N)=O)C2)c2ccccc2n1C
InChIInChI=1S/C25H28FN3O3/c1-17-23(20-6-3-4-7-21(20)28(17)2)24(31)29-13-5-12-25(15-29,14-22(27)30)16-32-19-10-8-18(26)9-11-19/h3-4,6-11H,5,12-16H2,1-2H3,(H2,27,30)
InChIKeyPXDKQBUPWKGVNU-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.80
Rot. Bonds6

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

2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide (PubChem CID 110080364) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
PubChem CID110080364
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
SMILESCc1c(C(=O)N2CCCC(COc3ccc(F)cc3)(CC(N)=O)C2)c2ccccc2n1C
InChIInChI=1S/C25H28FN3O3/c1-17-23(20-6-3-4-7-21(20)28(17)2)24(31)29-13-5-12-25(15-29,14-22(27)30)16-32-19-10-8-18(26)9-11-19/h3-4,6-11H,5,12-16H2,1-2H3,(H2,27,30)
InChIKeyPXDKQBUPWKGVNU-UHFFFAOYSA-N
XLogP3.80
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124957169
2-[1-(4-ethylbenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080380
2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 125024237
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 124960218
2-[(3R)-1-(3-chloro-4-fluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 124944696
2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide
CID 110080337
2-[(3R)-3-[(4-chloro-3-methylphenoxy)methyl]-1-(2,6-difluorobenzoyl)piperidin-3-yl]acetamide
CID 124957242
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide
CID 124955846
2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 124960724
2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide
CID 125006574
2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 125017342
2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 125011059

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide (CID 110080364) is 2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide is Cc1c(C(=O)N2CCCC(COc3ccc(F)cc3)(CC(N)=O)C2)c2ccccc2n1C.
What is the InChIKey of 2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide?
The InChIKey is PXDKQBUPWKGVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-17-23(20-6-3-4-7-21(20)28(17)2)24(31)29-13-5-12-25(15-29,14-22(27)30)16-32-19-10-8-18(26)9-11-19/h3-4,6-11H,5,12-16H2,1-2H3,(H2,27,30).
What are the key properties of 2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide?
2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide has a molecular weight of 437.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 110080364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).