4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide

C25H29N3O3S — CID 4098148

IUPAC4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H29N3O3S/c29-25(19-9-11-20(12-10-19)32(30,31)28-14-4-1-5-15-28)26-17-18-8-13-24-22(16-18)21-6-2-3-7-23(21)27-24/h8-13,16,27H,1-7,14-15,17H2,(H,26,29)
InChIKeyLKRFPEPOHWCGGW-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.15
Rot. Bonds5

About 4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide

4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide (PubChem CID 4098148) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
PubChem CID4098148
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H29N3O3S/c29-25(19-9-11-20(12-10-19)32(30,31)28-14-4-1-5-15-28)26-17-18-8-13-24-22(16-18)21-6-2-3-7-23(21)27-24/h8-13,16,27H,1-7,14-15,17H2,(H,26,29)
InChIKeyLKRFPEPOHWCGGW-UHFFFAOYSA-N
XLogP4.15
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The IUPAC name of 4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide (CID 4098148) is 4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide is O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The InChIKey is LKRFPEPOHWCGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c29-25(19-9-11-20(12-10-19)32(30,31)28-14-4-1-5-15-28)26-17-18-8-13-24-22(16-18)21-6-2-3-7-23(21)27-24/h8-13,16,27H,1-7,14-15,17H2,(H,26,29).
What are the key properties of 4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide has a molecular weight of 451.59 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide is sourced from PubChem (CID 4098148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).