1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide

C13H26N2O5S — CID 110335830

IUPAC1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(S(=O)(=O)CCOC)C1
InChIInChI=1S/C13H26N2O5S/c1-19-8-4-6-14-13(16)12-5-3-7-15(11-12)21(17,18)10-9-20-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyRXGWGKAANYDYIP-UHFFFAOYSA-N
MW322.43 g/mol
LogP-0.17
Rot. Bonds9

About 1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide

1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide (PubChem CID 110335830) has the molecular formula C13H26N2O5S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
PubChem CID110335830
Molecular FormulaC13H26N2O5S
Molecular Weight322.43 g/mol
Exact Mass322.16
IUPAC Name1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(S(=O)(=O)CCOC)C1
InChIInChI=1S/C13H26N2O5S/c1-19-8-4-6-14-13(16)12-5-3-7-15(11-12)21(17,18)10-9-20-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyRXGWGKAANYDYIP-UHFFFAOYSA-N
XLogP-0.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55685553
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
1-(2-methoxyethylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 110335852
N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide
CID 63253090
N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
CID 110335849
1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide
CID 71785561
(3R)-1-(dimethylsulfamoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 28955789
N-(3-methoxypropyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513055

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide (CID 110335830) is 1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide is COCCCNC(=O)C1CCCN(S(=O)(=O)CCOC)C1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide?
The InChIKey is RXGWGKAANYDYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5S/c1-19-8-4-6-14-13(16)12-5-3-7-15(11-12)21(17,18)10-9-20-2/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of 1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide?
1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide has a molecular weight of 322.43 g/mol, XLogP of -0.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 110335830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).