methyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate

C20H27N3O4 — CID 664847

IUPACmethyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCC(C)CC1
InChIInChI=1S/C20H27N3O4/c1-13-7-10-23(11-8-13)12-9-16(24)22-18-17-14(5-4-6-15(17)26-2)21-19(18)20(25)27-3/h4-6,13,21H,7-12H2,1-3H3,(H,22,24)
InChIKeyVWZYZCUGDMHYCW-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.02
Rot. Bonds6

About methyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate

methyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate (PubChem CID 664847) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is methyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate
PubChem CID664847
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Namemethyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCC(C)CC1
InChIInChI=1S/C20H27N3O4/c1-13-7-10-23(11-8-13)12-9-16(24)22-18-17-14(5-4-6-15(17)26-2)21-19(18)20(25)27-3/h4-6,13,21H,7-12H2,1-3H3,(H,22,24)
InChIKeyVWZYZCUGDMHYCW-UHFFFAOYSA-N
XLogP3.02
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate (CID 664847) is methyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCC(C)CC1.
What is the InChIKey of methyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate?
The InChIKey is VWZYZCUGDMHYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-13-7-10-23(11-8-13)12-9-16(24)22-18-17-14(5-4-6-15(17)26-2)21-19(18)20(25)27-3/h4-6,13,21H,7-12H2,1-3H3,(H,22,24).
What are the key properties of methyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate?
methyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[3-(4-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate is sourced from PubChem (CID 664847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).