methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate

C20H26N4O4 — CID 665785

IUPACmethyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate
SMILESCOC(=O)c1c(NC(=O)CN2CCC(C(N)=O)CC2)c2c(C)cccc2n1C
InChIInChI=1S/C20H26N4O4/c1-12-5-4-6-14-16(12)17(18(23(14)2)20(27)28-3)22-15(25)11-24-9-7-13(8-10-24)19(21)26/h4-6,13H,7-11H2,1-3H3,(H2,21,26)(H,22,25)
InChIKeyIBVTZEDJRDJFKW-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.41
Rot. Bonds5

About methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate

methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate (PubChem CID 665785) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate
PubChem CID665785
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Namemethyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate
SMILESCOC(=O)c1c(NC(=O)CN2CCC(C(N)=O)CC2)c2c(C)cccc2n1C
InChIInChI=1S/C20H26N4O4/c1-12-5-4-6-14-16(12)17(18(23(14)2)20(27)28-3)22-15(25)11-24-9-7-13(8-10-24)19(21)26/h4-6,13H,7-11H2,1-3H3,(H2,21,26)(H,22,25)
InChIKeyIBVTZEDJRDJFKW-UHFFFAOYSA-N
XLogP1.41
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate with MolForge

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Related Compounds

methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate
CID 5238969
methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate
CID 3759676
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 43375694
methyl 3-[[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate
CID 7174861
ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 3740678
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530988
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375565
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530969
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate?
The IUPAC name of methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate (CID 665785) is methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate is COC(=O)c1c(NC(=O)CN2CCC(C(N)=O)CC2)c2c(C)cccc2n1C.
What is the InChIKey of methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate?
The InChIKey is IBVTZEDJRDJFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-12-5-4-6-14-16(12)17(18(23(14)2)20(27)28-3)22-15(25)11-24-9-7-13(8-10-24)19(21)26/h4-6,13H,7-11H2,1-3H3,(H2,21,26)(H,22,25).
What are the key properties of methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate?
methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate is sourced from PubChem (CID 665785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).