methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate

C16H20N2O3 — CID 141315476

IUPACmethyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)cc(N3CCCCC3)cc2[nH]1
InChIInChI=1S/C16H20N2O3/c1-20-15-9-11(18-6-4-3-5-7-18)8-13-12(15)10-14(17-13)16(19)21-2/h8-10,17H,3-7H2,1-2H3
InChIKeyLUIIIKJMQUIXFQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.95
Rot. Bonds3

About methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate

methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate (PubChem CID 141315476) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate
PubChem CID141315476
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)cc(N3CCCCC3)cc2[nH]1
InChIInChI=1S/C16H20N2O3/c1-20-15-9-11(18-6-4-3-5-7-18)8-13-12(15)10-14(17-13)16(19)21-2/h8-10,17H,3-7H2,1-2H3
InChIKeyLUIIIKJMQUIXFQ-UHFFFAOYSA-N
XLogP2.95
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate
CID 63376573
sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate
CID 67227531
2-morpholin-4-ylethyl 6-piperidin-1-yl-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634200
methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634395
methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate
CID 122232254
dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate
CID 138673928
methyl 4-bromo-6,7-dimethoxy-1H-indole-2-carboxylate
CID 7144594
dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate
CID 10660138
methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
CID 146155137
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate
CID 135358278
3-methoxy-5-pyrrolidin-1-ylbenzoic acid
CID 156591947

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate (CID 141315476) is methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate is COC(=O)c1cc2c(OC)cc(N3CCCCC3)cc2[nH]1.
What is the InChIKey of methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate?
The InChIKey is LUIIIKJMQUIXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-15-9-11(18-6-4-3-5-7-18)8-13-12(15)10-14(17-13)16(19)21-2/h8-10,17H,3-7H2,1-2H3.
What are the key properties of methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate?
methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate is sourced from PubChem (CID 141315476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).