(3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

C26H35N3O3S — CID 92675182

IUPAC(3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1
InChIInChI=1S/C26H35N3O3S/c30-26(27-16-8-17-28-19-15-23-12-4-5-14-25(23)28)24-13-6-18-29(21-24)33(31,32)20-7-11-22-9-2-1-3-10-22/h1-5,9-10,12,14,24H,6-8,11,13,15-21H2,(H,27,30)/t24-/m0/s1
InChIKeyLCSWVVSSSDYZID-DEOSSOPVSA-N
MW469.65 g/mol
LogP3.23
Rot. Bonds10

About (3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

(3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (PubChem CID 92675182) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is (3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
PubChem CID92675182
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC Name(3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1
InChIInChI=1S/C26H35N3O3S/c30-26(27-16-8-17-28-19-15-23-12-4-5-14-25(23)28)24-13-6-18-29(21-24)33(31,32)20-7-11-22-9-2-1-3-10-22/h1-5,9-10,12,14,24H,6-8,11,13,15-21H2,(H,27,30)/t24-/m0/s1
InChIKeyLCSWVVSSSDYZID-DEOSSOPVSA-N
XLogP3.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43876653
(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30382241
(3R)-N-[3-(4-fluorophenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28632952
(3R)-N-[3-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30394720
(3S)-N-(3-morpholin-4-ylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92677076
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168284
1-(4-chlorophenyl)sulfonyl-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 133189530
(3R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118463
(3S)-1-(3-phenylpropylsulfonyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 92646552
(3R)-N-[(3-methylphenyl)methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94016222
N-[2-(2-chlorophenoxy)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 133239657
(3S)-N-[3-(2-ethoxyphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94019320

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (CID 92675182) is (3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is O=C(NCCCN1CCc2ccccc21)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1.
What is the InChIKey of (3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The InChIKey is LCSWVVSSSDYZID-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H35N3O3S/c30-26(27-16-8-17-28-19-15-23-12-4-5-14-25(23)28)24-13-6-18-29(21-24)33(31,32)20-7-11-22-9-2-1-3-10-22/h1-5,9-10,12,14,24H,6-8,11,13,15-21H2,(H,27,30)/t24-/m0/s1.
What are the key properties of (3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
(3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide has a molecular weight of 469.65 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 92675182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).