1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide

C23H34N4O3S — CID 20966193

IUPAC1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide
SMILESCCN1CCCC1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(ccn3CC)c2)CC1
InChIInChI=1S/C23H34N4O3S/c1-3-25-12-5-6-20(25)17-24-23(28)18-10-14-27(15-11-18)31(29,30)21-7-8-22-19(16-21)9-13-26(22)4-2/h7-9,13,16,18,20H,3-6,10-12,14-15,17H2,1-2H3,(H,24,28)
InChIKeyKGELEVYYRWMHMO-UHFFFAOYSA-N
MW446.62 g/mol
LogP2.66
Rot. Bonds7

About 1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide

1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 20966193) has the molecular formula C23H34N4O3S and a molecular weight of 446.62 g/mol. Its IUPAC name is 1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID20966193
Molecular FormulaC23H34N4O3S
Molecular Weight446.62 g/mol
Exact Mass446.24
IUPAC Name1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide
SMILESCCN1CCCC1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(ccn3CC)c2)CC1
InChIInChI=1S/C23H34N4O3S/c1-3-25-12-5-6-20(25)17-24-23(28)18-10-14-27(15-11-18)31(29,30)21-7-8-22-19(16-21)9-13-26(22)4-2/h7-9,13,16,18,20H,3-6,10-12,14-15,17H2,1-2H3,(H,24,28)
InChIKeyKGELEVYYRWMHMO-UHFFFAOYSA-N
XLogP2.66
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylindol-5-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 20966183
1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 20966208
1-(3-acetylphenyl)sulfonyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 9087756
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 92751290
1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 20966237
(3S)-N-(3-ethoxypropyl)-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92726167
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92751316
(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 92751303
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 92895673
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92751286
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 8839764
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751328

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide (CID 20966193) is 1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide is CCN1CCCC1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(ccn3CC)c2)CC1.
What is the InChIKey of 1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KGELEVYYRWMHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3S/c1-3-25-12-5-6-20(25)17-24-23(28)18-10-14-27(15-11-18)31(29,30)21-7-8-22-19(16-21)9-13-26(22)4-2/h7-9,13,16,18,20H,3-6,10-12,14-15,17H2,1-2H3,(H,24,28).
What are the key properties of 1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide?
1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 446.62 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20966193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).