methyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate

C16H21N3O2 — CID 155401504

IUPACmethyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate
SMILESCOC(=O)c1cn(C)c2cc(N3CCNC[C@H]3C)ccc12
InChIInChI=1S/C16H21N3O2/c1-11-9-17-6-7-19(11)12-4-5-13-14(16(20)21-3)10-18(2)15(13)8-12/h4-5,8,10-11,17H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyBKCZFMAGPVRQGX-LLVKDONJSA-N
MW287.36 g/mol
LogP1.76
Rot. Bonds2

About methyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate

methyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate (PubChem CID 155401504) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate
PubChem CID155401504
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namemethyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate
SMILESCOC(=O)c1cn(C)c2cc(N3CCNC[C@H]3C)ccc12
InChIInChI=1S/C16H21N3O2/c1-11-9-17-6-7-19(11)12-4-5-13-14(16(20)21-3)10-18(2)15(13)8-12/h4-5,8,10-11,17H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyBKCZFMAGPVRQGX-LLVKDONJSA-N
XLogP1.76
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-methyl-6-(5-methyl-1,4-diazepan-1-yl)indole-3-carboxylate
CID 155401663
methyl 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1-methylindole-3-carboxylate
CID 155401523
methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate
CID 66906133
methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate
CID 45072841
2-chloro-4-(2-methylpiperazin-1-yl)benzoic acid
CID 76853894
2-fluoro-4-[(2S)-2-methylpiperazin-1-yl]benzoic acid
CID 99909361
3-[(2S)-2-methylpiperazin-1-yl]benzoic acid
CID 45073187
(2S)-1-(4-fluoro-3-methoxyphenyl)-2-methylpiperazine
CID 96908124
(2S)-1-(4-bromo-3-methoxyphenyl)-2-methylpiperazine
CID 142683631
1-(3-methoxy-4-nitrophenyl)-2-methylpiperazine
CID 63671862
6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid
CID 155401536
N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 166021939

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate?
The IUPAC name of methyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate (CID 155401504) is methyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate is COC(=O)c1cn(C)c2cc(N3CCNC[C@H]3C)ccc12.
What is the InChIKey of methyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate?
The InChIKey is BKCZFMAGPVRQGX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-9-17-6-7-19(11)12-4-5-13-14(16(20)21-3)10-18(2)15(13)8-12/h4-5,8,10-11,17H,6-7,9H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate?
methyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-[(2R)-2-methylpiperazin-1-yl]indole-3-carboxylate is sourced from PubChem (CID 155401504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).