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

C25H39N5O3S — CID 92751316

IUPAC(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCCN1CCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4CC)c3)C2)CC1
InChIInChI=1S/C25H39N5O3S/c1-3-27-15-17-28(18-16-27)12-6-11-26-25(31)22-7-5-13-30(20-22)34(32,33)23-8-9-24-21(19-23)10-14-29(24)4-2/h8-10,14,19,22H,3-7,11-13,15-18,20H2,1-2H3,(H,26,31)/t22-/m1/s1
InChIKeyOJZDOEBCOVTRSZ-JOCHJYFZSA-N
MW489.69 g/mol
LogP2.21
Rot. Bonds9

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

(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 92751316) has the molecular formula C25H39N5O3S and a molecular weight of 489.69 g/mol. Its IUPAC name is (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID92751316
Molecular FormulaC25H39N5O3S
Molecular Weight489.69 g/mol
Exact Mass489.28
IUPAC Name(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCCN1CCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4CC)c3)C2)CC1
InChIInChI=1S/C25H39N5O3S/c1-3-27-15-17-28(18-16-27)12-6-11-26-25(31)22-7-5-13-30(20-22)34(32,33)23-8-9-24-21(19-23)10-14-29(24)4-2/h8-10,14,19,22H,3-7,11-13,15-18,20H2,1-2H3,(H,26,31)/t22-/m1/s1
InChIKeyOJZDOEBCOVTRSZ-JOCHJYFZSA-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'}

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

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Related Compounds

(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 92751290
1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 20966208
(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
(3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92765113
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92751286
1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46349864
1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 20966237
(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92712242
1-(1-ethylindol-5-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 20966183
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751328
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751320

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide (CID 92751316) is (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide is CCN1CCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4CC)c3)C2)CC1.
What is the InChIKey of (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is OJZDOEBCOVTRSZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H39N5O3S/c1-3-27-15-17-28(18-16-27)12-6-11-26-25(31)22-7-5-13-30(20-22)34(32,33)23-8-9-24-21(19-23)10-14-29(24)4-2/h8-10,14,19,22H,3-7,11-13,15-18,20H2,1-2H3,(H,26,31)/t22-/m1/s1.
What are the key properties of (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-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 (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 92751316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).