1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide

C21H34N2O3S — CID 55689168

IUPAC1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide
SMILESCCC(CC)CN(CC)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H34N2O3S/c1-4-18(5-2)16-22(6-3)21(24)20-12-14-23(15-13-20)27(25,26)17-19-10-8-7-9-11-19/h7-11,18,20H,4-6,12-17H2,1-3H3
InChIKeyMDUKGUJFESXPDE-UHFFFAOYSA-N
MW394.58 g/mol
LogP3.51
Rot. Bonds9

About 1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide

1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide (PubChem CID 55689168) has the molecular formula C21H34N2O3S and a molecular weight of 394.58 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide
PubChem CID55689168
Molecular FormulaC21H34N2O3S
Molecular Weight394.58 g/mol
Exact Mass394.23
IUPAC Name1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide
SMILESCCC(CC)CN(CC)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H34N2O3S/c1-4-18(5-2)16-22(6-3)21(24)20-12-14-23(15-13-20)27(25,26)17-19-10-8-7-9-11-19/h7-11,18,20H,4-6,12-17H2,1-3H3
InChIKeyMDUKGUJFESXPDE-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.58
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylsulfonyl-N-ethyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55690537
1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931
N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide
CID 71737584
1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92676349
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide
CID 95875536
1-(4-benzylsulfonylpiperazin-1-yl)-2-ethylbutan-1-one
CID 78779180
(2R)-N-benzyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-ethylpropanamide
CID 9443239
1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 55690489
1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 38906012

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide (CID 55689168) is 1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide is CCC(CC)CN(CC)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide?
The InChIKey is MDUKGUJFESXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3S/c1-4-18(5-2)16-22(6-3)21(24)20-12-14-23(15-13-20)27(25,26)17-19-10-8-7-9-11-19/h7-11,18,20H,4-6,12-17H2,1-3H3.
What are the key properties of 1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide?
1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide has a molecular weight of 394.58 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 55689168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).