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

C27H34N4O4S — CID 11598695

IUPAC3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCOCC4)CC3)c[nH]c12
InChIInChI=1S/C27H34N4O4S/c28-27(32)24-18-22(20-5-2-1-3-6-20)17-23-25(19-29-26(23)24)21-7-10-31(11-8-21)36(33,34)16-4-9-30-12-14-35-15-13-30/h1-3,5-6,17-19,21,29H,4,7-16H2,(H2,28,32)
InChIKeyGMIQJWKIKIPZJZ-UHFFFAOYSA-N
MW510.66 g/mol
LogP3.17
Rot. Bonds8

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

3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 11598695) has the molecular formula C27H34N4O4S and a molecular weight of 510.66 g/mol. Its IUPAC name is 3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID11598695
Molecular FormulaC27H34N4O4S
Molecular Weight510.66 g/mol
Exact Mass510.23
IUPAC Name3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCOCC4)CC3)c[nH]c12
InChIInChI=1S/C27H34N4O4S/c28-27(32)24-18-22(20-5-2-1-3-6-20)17-23-25(19-29-26(23)24)21-7-10-31(11-8-21)36(33,34)16-4-9-30-12-14-35-15-13-30/h1-3,5-6,17-19,21,29H,4,7-16H2,(H2,28,32)
InChIKeyGMIQJWKIKIPZJZ-UHFFFAOYSA-N
XLogP3.17
TPSA108.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.66
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (CID 11598695) is 3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCOCC4)CC3)c[nH]c12.
What is the InChIKey of 3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is GMIQJWKIKIPZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4S/c28-27(32)24-18-22(20-5-2-1-3-6-20)17-23-25(19-29-26(23)24)21-7-10-31(11-8-21)36(33,34)16-4-9-30-12-14-35-15-13-30/h1-3,5-6,17-19,21,29H,4,7-16H2,(H2,28,32).
What are the key properties of 3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 510.66 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 11598695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).