4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide

C16H24N2O4S — CID 119105569

IUPAC4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-22-12-9-17-16(19)18-10-7-15(8-11-18)23(20,21)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,17,19)
InChIKeyZRCJMNFSZQVEGZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.42
Rot. Bonds6

About 4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide

4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide (PubChem CID 119105569) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide
PubChem CID119105569
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-22-12-9-17-16(19)18-10-7-15(8-11-18)23(20,21)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,17,19)
InChIKeyZRCJMNFSZQVEGZ-UHFFFAOYSA-N
XLogP1.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591979
(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 96999655
N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 71786930
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105123
N-(2-methoxyethyl)-4-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105117
N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 90540574
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105129
3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 121164595
4-benzylsulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide
CID 121022782
N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 86776771

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide?
The IUPAC name of 4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide (CID 119105569) is 4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide is COCCNC(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide?
The InChIKey is ZRCJMNFSZQVEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-12-9-17-16(19)18-10-7-15(8-11-18)23(20,21)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,17,19).
What are the key properties of 4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide?
4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 119105569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).