1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide

C21H33N3O3S — CID 70766209

IUPAC1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC(N2CCCC(C(=O)NCCc3ccccc3)C2)CC1
InChIInChI=1S/C21H33N3O3S/c1-2-28(26,27)24-15-11-20(12-16-24)23-14-6-9-19(17-23)21(25)22-13-10-18-7-4-3-5-8-18/h3-5,7-8,19-20H,2,6,9-17H2,1H3,(H,22,25)
InChIKeyYJKGAAGPGXZEDH-UHFFFAOYSA-N
MW407.58 g/mol
LogP1.87
Rot. Bonds7

About 1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide

1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 70766209) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is 1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID70766209
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC Name1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC(N2CCCC(C(=O)NCCc3ccccc3)C2)CC1
InChIInChI=1S/C21H33N3O3S/c1-2-28(26,27)24-15-11-20(12-16-24)23-14-6-9-19(17-23)21(25)22-13-10-18-7-4-3-5-8-18/h3-5,7-8,19-20H,2,6,9-17H2,1H3,(H,22,25)
InChIKeyYJKGAAGPGXZEDH-UHFFFAOYSA-N
XLogP1.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (CID 70766209) is 1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is CCS(=O)(=O)N1CCC(N2CCCC(C(=O)NCCc3ccccc3)C2)CC1.
What is the InChIKey of 1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is YJKGAAGPGXZEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-2-28(26,27)24-15-11-20(12-16-24)23-14-6-9-19(17-23)21(25)22-13-10-18-7-4-3-5-8-18/h3-5,7-8,19-20H,2,6,9-17H2,1H3,(H,22,25).
What are the key properties of 1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 407.58 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 70766209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).