(3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide

C25H39N5O3S — CID 92765113

IUPAC(3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCCCN1CCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)CC1
InChIInChI=1S/C25H39N5O3S/c1-3-11-28-15-17-29(18-16-28)12-5-10-26-25(31)22-6-4-13-30(20-22)34(32,33)23-7-8-24-21(19-23)9-14-27(24)2/h7-9,14,19,22H,3-6,10-13,15-18,20H2,1-2H3,(H,26,31)/t22-/m0/s1
InChIKeyHOVWWJOQBNWPOI-QFIPXVFZSA-N
MW489.69 g/mol
LogP2.11
Rot. Bonds9

About (3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide

(3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 92765113) has the molecular formula C25H39N5O3S and a molecular weight of 489.69 g/mol. Its IUPAC name is (3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID92765113
Molecular FormulaC25H39N5O3S
Molecular Weight489.69 g/mol
Exact Mass489.28
IUPAC Name(3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCCCN1CCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)CC1
InChIInChI=1S/C25H39N5O3S/c1-3-11-28-15-17-29(18-16-28)12-5-10-26-25(31)22-6-4-13-30(20-22)34(32,33)23-7-8-24-21(19-23)9-14-27(24)2/h7-9,14,19,22H,3-6,10-13,15-18,20H2,1-2H3,(H,26,31)/t22-/m0/s1
InChIKeyHOVWWJOQBNWPOI-QFIPXVFZSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide with MolForge

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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
(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92712242
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 92751290
(3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92712238
(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-(4-methylphenyl)sulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 124626205
1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 20966208
(3S)-N-butyl-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92890058
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92751286
N-[2-(azepan-1-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide
CID 46330210
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide (CID 92765113) is (3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide is CCCN1CCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)CC1.
What is the InChIKey of (3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is HOVWWJOQBNWPOI-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H39N5O3S/c1-3-11-28-15-17-29(18-16-28)12-5-10-26-25(31)22-6-4-13-30(20-22)34(32,33)23-7-8-24-21(19-23)9-14-27(24)2/h7-9,14,19,22H,3-6,10-13,15-18,20H2,1-2H3,(H,26,31)/t22-/m0/s1.
What are the key properties of (3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
(3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 489.69 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 92765113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).