(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide

C18H25N3O3S — CID 94491129

IUPAC(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C18H25N3O3S/c1-3-10-25(23,24)21-9-5-4-6-17(21)18(22)20-15-7-8-16-14(12-15)11-13(2)19-16/h7-8,11-12,17,19H,3-6,9-10H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyLKAVXMXQQQKKQA-QGZVFWFLSA-N
MW363.48 g/mol
LogP3.01
Rot. Bonds5

About (2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide

(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 94491129) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is (2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID94491129
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C18H25N3O3S/c1-3-10-25(23,24)21-9-5-4-6-17(21)18(22)20-15-7-8-16-14(12-15)11-13(2)19-16/h7-8,11-12,17,19H,3-6,9-10H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyLKAVXMXQQQKKQA-QGZVFWFLSA-N
XLogP3.01
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491130
(2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide
CID 94658175
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55916654
N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55819863
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 146088881
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241414
1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
CID 55515725
(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 35740935
1-cyclopentyl-3-(2-methyl-1H-indol-5-yl)urea
CID 38265150

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide (CID 94491129) is (2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2[nH]c(C)cc2c1.
What is the InChIKey of (2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is LKAVXMXQQQKKQA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-3-10-25(23,24)21-9-5-4-6-17(21)18(22)20-15-7-8-16-14(12-15)11-13(2)19-16/h7-8,11-12,17,19H,3-6,9-10H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide?
(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 94491129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).