N-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide

C21H33N3O3S — CID 3689586

IUPACN-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C21H33N3O3S/c1-3-18-4-6-19(7-5-18)16-22-21(25)20-10-14-24(15-11-20)28(26,27)23-12-8-17(2)9-13-23/h4-7,17,20H,3,8-16H2,1-2H3,(H,22,25)
InChIKeyGARCKSYLCNYWFH-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.55
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide

N-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 3689586) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
PubChem CID3689586
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C21H33N3O3S/c1-3-18-4-6-19(7-5-18)16-22-21(25)20-10-14-24(15-11-20)28(26,27)23-12-8-17(2)9-13-23/h4-7,17,20H,3,8-16H2,1-2H3,(H,22,25)
InChIKeyGARCKSYLCNYWFH-UHFFFAOYSA-N
XLogP2.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide (CID 3689586) is N-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide is CCc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is GARCKSYLCNYWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-3-18-4-6-19(7-5-18)16-22-21(25)20-10-14-24(15-11-20)28(26,27)23-12-8-17(2)9-13-23/h4-7,17,20H,3,8-16H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
N-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 407.58 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3689586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).