1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide

C25H39N5O3S — CID 20966208

IUPAC1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
SMILESCCN1CCN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4CC)c3)CC2)CC1
InChIInChI=1S/C25H39N5O3S/c1-3-27-16-18-28(19-17-27)12-5-11-26-25(31)21-9-14-30(15-10-21)34(32,33)23-6-7-24-22(20-23)8-13-29(24)4-2/h6-8,13,20-21H,3-5,9-12,14-19H2,1-2H3,(H,26,31)
InChIKeyYJVKIBUWRVJPMR-UHFFFAOYSA-N
MW489.69 g/mol
LogP2.21
Rot. Bonds9

About 1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide

1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 20966208) has the molecular formula C25H39N5O3S and a molecular weight of 489.69 g/mol. Its IUPAC name is 1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID20966208
Molecular FormulaC25H39N5O3S
Molecular Weight489.69 g/mol
Exact Mass489.28
IUPAC Name1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
SMILESCCN1CCN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4CC)c3)CC2)CC1
InChIInChI=1S/C25H39N5O3S/c1-3-27-16-18-28(19-17-27)12-5-11-26-25(31)21-9-14-30(15-10-21)34(32,33)23-6-7-24-22(20-23)8-13-29(24)4-2/h6-8,13,20-21H,3-5,9-12,14-19H2,1-2H3,(H,26,31)
InChIKeyYJVKIBUWRVJPMR-UHFFFAOYSA-N
XLogP2.21
TPSA77.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.69
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92751316
1-(1-ethylindol-5-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 20966183
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 92751290
1-(4-acetylphenyl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 55660055
1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 20966193
(3S)-N-(3-ethoxypropyl)-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92726167
(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 92751303
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20918879
(3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92765113
ethyl 4-[4-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55660394
1-(4-acetylphenyl)sulfonyl-N-(3-indol-1-ylpropyl)piperidine-4-carboxamide
CID 55349126
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92751286

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide (CID 20966208) is 1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide is CCN1CCN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4CC)c3)CC2)CC1.
What is the InChIKey of 1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is YJVKIBUWRVJPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O3S/c1-3-27-16-18-28(19-17-27)12-5-11-26-25(31)21-9-14-30(15-10-21)34(32,33)23-6-7-24-22(20-23)8-13-29(24)4-2/h6-8,13,20-21H,3-5,9-12,14-19H2,1-2H3,(H,26,31).
What are the key properties of 1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide?
1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 489.69 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 20966208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).