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

C27H36N4O3S — CID 68792332

IUPAC3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESCCN(CC)CCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C27H36N4O3S/c1-3-30(4-2)13-8-16-35(33,34)31-14-11-21(12-15-31)25-19-29-26-23(25)17-22(18-24(26)27(28)32)20-9-6-5-7-10-20/h5-7,9-10,17-19,21,29H,3-4,8,11-16H2,1-2H3,(H2,28,32)
InChIKeyVQIIDCSRXUTGCN-UHFFFAOYSA-N
MW496.68 g/mol
LogP4.17
Rot. Bonds10

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

3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 68792332) has the molecular formula C27H36N4O3S and a molecular weight of 496.68 g/mol. Its IUPAC name is 3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID68792332
Molecular FormulaC27H36N4O3S
Molecular Weight496.68 g/mol
Exact Mass496.25
IUPAC Name3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESCCN(CC)CCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C27H36N4O3S/c1-3-30(4-2)13-8-16-35(33,34)31-14-11-21(12-15-31)25-19-29-26-23(25)17-22(18-24(26)27(28)32)20-9-6-5-7-10-20/h5-7,9-10,17-19,21,29H,3-4,8,11-16H2,1-2H3,(H2,28,32)
InChIKeyVQIIDCSRXUTGCN-UHFFFAOYSA-N
XLogP4.17
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.68
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (CID 68792332) is 3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is CCN(CC)CCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is VQIIDCSRXUTGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3S/c1-3-30(4-2)13-8-16-35(33,34)31-14-11-21(12-15-31)25-19-29-26-23(25)17-22(18-24(26)27(28)32)20-9-6-5-7-10-20/h5-7,9-10,17-19,21,29H,3-4,8,11-16H2,1-2H3,(H2,28,32).
What are the key properties of 3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 496.68 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 68792332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).