N-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide

C23H27N3O3S — CID 71457392

IUPACN-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(C(=O)CN3CCC(Cc4ccccc4)CC3)c[nH]c2c1
InChIInChI=1S/C23H27N3O3S/c1-30(28,29)25-19-7-8-20-21(15-24-22(20)14-19)23(27)16-26-11-9-18(10-12-26)13-17-5-3-2-4-6-17/h2-8,14-15,18,24-25H,9-13,16H2,1H3
InChIKeyILDQLSNTKXJRTC-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.68
Rot. Bonds7

About N-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide

N-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide (PubChem CID 71457392) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide
PubChem CID71457392
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(C(=O)CN3CCC(Cc4ccccc4)CC3)c[nH]c2c1
InChIInChI=1S/C23H27N3O3S/c1-30(28,29)25-19-7-8-20-21(15-24-22(20)14-19)23(27)16-26-11-9-18(10-12-26)13-17-5-3-2-4-6-17/h2-8,14-15,18,24-25H,9-13,16H2,1H3
InChIKeyILDQLSNTKXJRTC-UHFFFAOYSA-N
XLogP3.68
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide (CID 71457392) is N-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(C(=O)CN3CCC(Cc4ccccc4)CC3)c[nH]c2c1.
What is the InChIKey of N-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide?
The InChIKey is ILDQLSNTKXJRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-30(28,29)25-19-7-8-20-21(15-24-22(20)14-19)23(27)16-26-11-9-18(10-12-26)13-17-5-3-2-4-6-17/h2-8,14-15,18,24-25H,9-13,16H2,1H3.
What are the key properties of N-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide?
N-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide has a molecular weight of 425.55 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-benzylpiperidin-1-yl)acetyl]-1H-indol-6-yl]methanesulfonamide is sourced from PubChem (CID 71457392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).