1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

C30H33N3O3 — CID 59727851

IUPAC1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccccc1-c1cccc(OC)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C30H33N3O3/c1-35-28-8-4-3-6-25(28)24-7-5-9-29(36-2)26(24)15-18-32-16-13-23(14-17-32)33-19-12-21-10-11-22(30(31)34)20-27(21)33/h3-12,19-20,23H,13-18H2,1-2H3,(H2,31,34)
InChIKeyXRSJDUCLRWUDHW-UHFFFAOYSA-N
MW483.61 g/mol
LogP5.30
Rot. Bonds8

About 1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 59727851) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is 1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID59727851
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC Name1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccccc1-c1cccc(OC)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C30H33N3O3/c1-35-28-8-4-3-6-25(28)24-7-5-9-29(36-2)26(24)15-18-32-16-13-23(14-17-32)33-19-12-21-10-11-22(30(31)34)20-27(21)33/h3-12,19-20,23H,13-18H2,1-2H3,(H2,31,34)
InChIKeyXRSJDUCLRWUDHW-UHFFFAOYSA-N
XLogP5.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (CID 59727851) is 1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccccc1-c1cccc(OC)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is XRSJDUCLRWUDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-35-28-8-4-3-6-25(28)24-7-5-9-29(36-2)26(24)15-18-32-16-13-23(14-17-32)33-19-12-21-10-11-22(30(31)34)20-27(21)33/h3-12,19-20,23H,13-18H2,1-2H3,(H2,31,34).
What are the key properties of 1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 483.61 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 59727851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).