3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide

C15H23N3O4S — CID 51083543

IUPAC3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)NCCOc2ccccc2)C1
InChIInChI=1S/C15H23N3O4S/c1-23(20,21)17-13-6-5-10-18(12-13)15(19)16-9-11-22-14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H,16,19)
InChIKeyTWTFGRWYAJJOMC-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.79
Rot. Bonds6

About 3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide

3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide (PubChem CID 51083543) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide
PubChem CID51083543
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)NCCOc2ccccc2)C1
InChIInChI=1S/C15H23N3O4S/c1-23(20,21)17-13-6-5-10-18(12-13)15(19)16-9-11-22-14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H,16,19)
InChIKeyTWTFGRWYAJJOMC-UHFFFAOYSA-N
XLogP0.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 51083667
(3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide
CID 126430496
(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 96999655
N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348
N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide
CID 97072958
4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721310
(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
(3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 95598534
(3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide
CID 52539738
4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 81493988

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide (CID 51083543) is 3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide is CS(=O)(=O)NC1CCCN(C(=O)NCCOc2ccccc2)C1.
What is the InChIKey of 3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide?
The InChIKey is TWTFGRWYAJJOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-23(20,21)17-13-6-5-10-18(12-13)15(19)16-9-11-22-14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H,16,19).
What are the key properties of 3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide?
3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 51083543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).