N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide

C17H23N3O3S — CID 50971502

IUPACN-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCCc1c(C(=O)N2CCC(NS(C)(=O)=O)CC2)[nH]c2ccccc12
InChIInChI=1S/C17H23N3O3S/c1-3-13-14-6-4-5-7-15(14)18-16(13)17(21)20-10-8-12(9-11-20)19-24(2,22)23/h4-7,12,18-19H,3,8-11H2,1-2H3
InChIKeyGKBRIBGITKCWLA-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.88
Rot. Bonds4

About N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide

N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 50971502) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID50971502
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCCc1c(C(=O)N2CCC(NS(C)(=O)=O)CC2)[nH]c2ccccc12
InChIInChI=1S/C17H23N3O3S/c1-3-13-14-6-4-5-7-15(14)18-16(13)17(21)20-10-8-12(9-11-20)19-24(2,22)23/h4-7,12,18-19H,3,8-11H2,1-2H3
InChIKeyGKBRIBGITKCWLA-UHFFFAOYSA-N
XLogP1.88
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3-ethyl-1H-indol-2-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 119059382
[4-(3-ethyl-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 50950547
(3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 95722969
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(3-ethyl-1H-indol-2-yl)methanone
CID 74245990
N-[1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 52671099
[4-[(2-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone
CID 113086605
(3-ethyl-1H-indol-2-yl)-[(2R)-2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124749836
(3-ethyl-1H-indol-2-yl)-[3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 156605772
N-[1-(4-oxo-3-pentylphthalazine-1-carbonyl)piperidin-4-yl]methanesulfonamide
CID 55478167
(3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 50979872
N-[1-(2-bromo-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 103853007
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide (CID 50971502) is N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide is CCc1c(C(=O)N2CCC(NS(C)(=O)=O)CC2)[nH]c2ccccc12.
What is the InChIKey of N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is GKBRIBGITKCWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-13-14-6-4-5-7-15(14)18-16(13)17(21)20-10-8-12(9-11-20)19-24(2,22)23/h4-7,12,18-19H,3,8-11H2,1-2H3.
What are the key properties of N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide?
N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 50971502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).