4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

C21H33N3O3S — CID 2990236

IUPAC4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1C
InChIInChI=1S/C21H33N3O3S/c1-15-14-16(2)18(4)19(17(15)3)28(26,27)24-12-8-21(9-13-24,20(22)25)23-10-6-5-7-11-23/h14H,5-13H2,1-4H3,(H2,22,25)
InChIKeyHXKBGPQPDJOKLV-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.41
Rot. Bonds4

About 4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 2990236) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID2990236
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC Name4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1C
InChIInChI=1S/C21H33N3O3S/c1-15-14-16(2)18(4)19(17(15)3)28(26,27)24-12-8-21(9-13-24,20(22)25)23-10-6-5-7-11-23/h14H,5-13H2,1-4H3,(H2,22,25)
InChIKeyHXKBGPQPDJOKLV-UHFFFAOYSA-N
XLogP2.41
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 2990236) is 4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1C.
What is the InChIKey of 4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HXKBGPQPDJOKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-15-14-16(2)18(4)19(17(15)3)28(26,27)24-12-8-21(9-13-24,20(22)25)23-10-6-5-7-11-23/h14H,5-13H2,1-4H3,(H2,22,25).
What are the key properties of 4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 407.58 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2990236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).