methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate

C20H26N2O3 — CID 71701683

IUPACmethyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)CCc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C20H26N2O3/c1-21-14-16(17-5-3-4-6-18(17)21)7-8-19(23)22-11-9-15(10-12-22)13-20(24)25-2/h3-6,14-15H,7-13H2,1-2H3
InChIKeyBJRLYTCTVBLOLR-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.91
Rot. Bonds5

About methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate

methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate (PubChem CID 71701683) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate
PubChem CID71701683
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Namemethyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)CCc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C20H26N2O3/c1-21-14-16(17-5-3-4-6-18(17)21)7-8-19(23)22-11-9-15(10-12-22)13-20(24)25-2/h3-6,14-15H,7-13H2,1-2H3
InChIKeyBJRLYTCTVBLOLR-UHFFFAOYSA-N
XLogP2.91
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 141396393
tert-butyl 4-[2-[3-(1-methylindol-3-yl)propanoyloxy]ethyl]piperidine-1-carboxylate
CID 139404154
3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 39354592
1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-(1-methylindol-3-yl)propan-1-one
CID 71701113
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 154841457
methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 86859520
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
methyl 2-[1-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]piperidin-4-yl]acetate
CID 71702347
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
methyl 2-[1-[3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanoyl]piperidin-4-yl]acetate
CID 75488747
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate (CID 71701683) is methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate is COC(=O)CC1CCN(C(=O)CCc2cn(C)c3ccccc23)CC1.
What is the InChIKey of methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate?
The InChIKey is BJRLYTCTVBLOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-21-14-16(17-5-3-4-6-18(17)21)7-8-19(23)22-11-9-15(10-12-22)13-20(24)25-2/h3-6,14-15H,7-13H2,1-2H3.
What are the key properties of methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate?
methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate has a molecular weight of 342.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate is sourced from PubChem (CID 71701683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).