5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide

C28H36N4O3S — CID 11555269

IUPAC5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCCCC4)CC3)c[nH]c12
InChIInChI=1S/C28H36N4O3S/c29-28(33)25-19-23(21-8-3-1-4-9-21)18-24-26(20-30-27(24)25)22-10-15-32(16-11-22)36(34,35)17-7-14-31-12-5-2-6-13-31/h1,3-4,8-9,18-20,22,30H,2,5-7,10-17H2,(H2,29,33)
InChIKeyVPANJYSDPHFHOO-UHFFFAOYSA-N
MW508.69 g/mol
LogP4.32
Rot. Bonds8

About 5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide

5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide (PubChem CID 11555269) has the molecular formula C28H36N4O3S and a molecular weight of 508.69 g/mol. Its IUPAC name is 5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
PubChem CID11555269
Molecular FormulaC28H36N4O3S
Molecular Weight508.69 g/mol
Exact Mass508.25
IUPAC Name5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCCCC4)CC3)c[nH]c12
InChIInChI=1S/C28H36N4O3S/c29-28(33)25-19-23(21-8-3-1-4-9-21)18-24-26(20-30-27(24)25)22-10-15-32(16-11-22)36(34,35)17-7-14-31-12-5-2-6-13-31/h1,3-4,8-9,18-20,22,30H,2,5-7,10-17H2,(H2,29,33)
InChIKeyVPANJYSDPHFHOO-UHFFFAOYSA-N
XLogP4.32
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.69
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide?
The IUPAC name of 5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide (CID 11555269) is 5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for 5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide?
The canonical SMILES for 5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCCCC4)CC3)c[nH]c12.
What is the InChIKey of 5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide?
The InChIKey is VPANJYSDPHFHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3S/c29-28(33)25-19-23(21-8-3-1-4-9-21)18-24-26(20-30-27(24)25)22-10-15-32(16-11-22)36(34,35)17-7-14-31-12-5-2-6-13-31/h1,3-4,8-9,18-20,22,30H,2,5-7,10-17H2,(H2,29,33).
What are the key properties of 5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide?
5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide has a molecular weight of 508.69 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[1-(3-piperidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 11555269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).