methyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate

C30H33N3O3 — CID 54071288

IUPACmethyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(-c1cncc(-c3cccc(OC)c3)c1)cn2CCCN1CCCCC1
InChIInChI=1S/C30H33N3O3/c1-35-25-10-6-9-22(18-25)23-17-24(20-31-19-23)27-21-33(16-8-15-32-13-4-3-5-14-32)28-12-7-11-26(29(27)28)30(34)36-2/h6-7,9-12,17-21H,3-5,8,13-16H2,1-2H3
InChIKeyMGQBMXFCQUIEDK-UHFFFAOYSA-N
MW483.61 g/mol
LogP6.04
Rot. Bonds8

About methyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate

methyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate (PubChem CID 54071288) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is methyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate
PubChem CID54071288
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC Namemethyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(-c1cncc(-c3cccc(OC)c3)c1)cn2CCCN1CCCCC1
InChIInChI=1S/C30H33N3O3/c1-35-25-10-6-9-22(18-25)23-17-24(20-31-19-23)27-21-33(16-8-15-32-13-4-3-5-14-32)28-12-7-11-26(29(27)28)30(34)36-2/h6-7,9-12,17-21H,3-5,8,13-16H2,1-2H3
InChIKeyMGQBMXFCQUIEDK-UHFFFAOYSA-N
XLogP6.04
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate?
The IUPAC name of methyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate (CID 54071288) is methyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate.
What is the SMILES notation for methyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate?
The canonical SMILES for methyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate is COC(=O)c1cccc2c1c(-c1cncc(-c3cccc(OC)c3)c1)cn2CCCN1CCCCC1.
What is the InChIKey of methyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate?
The InChIKey is MGQBMXFCQUIEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-35-25-10-6-9-22(18-25)23-17-24(20-31-19-23)27-21-33(16-8-15-32-13-4-3-5-14-32)28-12-7-11-26(29(27)28)30(34)36-2/h6-7,9-12,17-21H,3-5,8,13-16H2,1-2H3.
What are the key properties of methyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate?
methyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate has a molecular weight of 483.61 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(3-piperidin-1-ylpropyl)indole-4-carboxylate is sourced from PubChem (CID 54071288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).