1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide

C22H35N3O3S — CID 20968300

IUPAC1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)C2)cc1
InChIInChI=1S/C22H35N3O3S/c1-4-19-7-9-20(10-8-19)13-23-22(26)21-6-5-11-24(16-21)29(27,28)25-14-17(2)12-18(3)15-25/h7-10,17-18,21H,4-6,11-16H2,1-3H3,(H,23,26)
InChIKeyRUDWCNQNTRSXCP-UHFFFAOYSA-N
MW421.61 g/mol
LogP2.80
Rot. Bonds6

About 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 20968300) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
PubChem CID20968300
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)C2)cc1
InChIInChI=1S/C22H35N3O3S/c1-4-19-7-9-20(10-8-19)13-23-22(26)21-6-5-11-24(16-21)29(27,28)25-14-17(2)12-18(3)15-25/h7-10,17-18,21H,4-6,11-16H2,1-3H3,(H,23,26)
InChIKeyRUDWCNQNTRSXCP-UHFFFAOYSA-N
XLogP2.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
GT-12
CID 164934
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3236414
N-[2-(4-methylphenyl)ethyl]-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3236510
N-{3-[benzyl(isopropyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236804
N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3237443
N-(4-methylbenzyl)-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238307
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3239392
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3240019
1-[(diethylamino)sulfonyl]-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3240785
N-{3-[benzyl(methyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3240860
N-(1-methyl-3-phenylpropyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3241593

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide (CID 20968300) is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide is CCc1ccc(CNC(=O)C2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)C2)cc1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is RUDWCNQNTRSXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-4-19-7-9-20(10-8-19)13-23-22(26)21-6-5-11-24(16-21)29(27,28)25-14-17(2)12-18(3)15-25/h7-10,17-18,21H,4-6,11-16H2,1-3H3,(H,23,26).
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 421.61 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 20968300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).