methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate

C20H27N3O3 — CID 665587

IUPACmethyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate
SMILESCOC(=O)c1c(NC(=O)CN2CCCC(C)C2)c2c(C)cccc2n1C
InChIInChI=1S/C20H27N3O3/c1-13-7-6-10-23(11-13)12-16(24)21-18-17-14(2)8-5-9-15(17)22(3)19(18)20(25)26-4/h5,8-9,13H,6-7,10-12H2,1-4H3,(H,21,24)
InChIKeyUVTYSUYKKKESIK-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.94
Rot. Bonds4

About methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate

methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate (PubChem CID 665587) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate
PubChem CID665587
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Namemethyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate
SMILESCOC(=O)c1c(NC(=O)CN2CCCC(C)C2)c2c(C)cccc2n1C
InChIInChI=1S/C20H27N3O3/c1-13-7-6-10-23(11-13)12-16(24)21-18-17-14(2)8-5-9-15(17)22(3)19(18)20(25)26-4/h5,8-9,13H,6-7,10-12H2,1-4H3,(H,21,24)
InChIKeyUVTYSUYKKKESIK-UHFFFAOYSA-N
XLogP2.94
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate with MolForge

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Related Compounds

methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate
CID 947964
Ethyl 3-amino-1H-indole-2-carboxylate
CID 732887
Methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate
CID 155537892
ethyl 3-amino-1-methyl-5-nitro-1H-indole-2-carboxylate
CID 2811093
methyl 3-{[2-(morpholin-4-yl)propanoyl]amino}-1H-indole-2-carboxylate
CID 3723654
methyl 3-[(3,4-dihydroquinolin-1(2H)-ylacetyl)amino]-1H-indole-2-carboxylate
CID 658682
methyl 3-({[3-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
CID 658823
methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate
CID 658948
methyl 3-(3-thiomorpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate
CID 658977
methyl 5-chloro-3-{[3-(4-cyclohexylpiperazin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
CID 662124
4-chloro-3-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester
CID 663387
methyl 4-chloro-3-{[(2-methylpiperidin-1-yl)acetyl]amino}-1H-indole-2-carboxylate
CID 663854

Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate?
The IUPAC name of methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate (CID 665587) is methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate.
What is the SMILES notation for methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate?
The canonical SMILES for methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate is COC(=O)c1c(NC(=O)CN2CCCC(C)C2)c2c(C)cccc2n1C.
What is the InChIKey of methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate?
The InChIKey is UVTYSUYKKKESIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13-7-6-10-23(11-13)12-16(24)21-18-17-14(2)8-5-9-15(17)22(3)19(18)20(25)26-4/h5,8-9,13H,6-7,10-12H2,1-4H3,(H,21,24).
What are the key properties of methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate?
methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dimethyl-3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]indole-2-carboxylate is sourced from PubChem (CID 665587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).