N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide

C15H19N3O3S — CID 110730828

IUPACN-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C15H19N3O3S/c1-22(20,21)18-8-5-12(6-9-18)15(19)17-13-3-2-11-4-7-16-14(11)10-13/h2-4,7,10,12,16H,5-6,8-9H2,1H3,(H,17,19)
InChIKeyGIWZSPCECPPCPU-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.78
Rot. Bonds3

About N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide

N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 110730828) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID110730828
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C15H19N3O3S/c1-22(20,21)18-8-5-12(6-9-18)15(19)17-13-3-2-11-4-7-16-14(11)10-13/h2-4,7,10,12,16H,5-6,8-9H2,1H3,(H,17,19)
InChIKeyGIWZSPCECPPCPU-UHFFFAOYSA-N
XLogP1.78
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-6-yl)cycloheptanecarboxamide
CID 154864355
1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110726535
N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729349
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729021
1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 110726347
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 16606132
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603263
N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119438350
1-methylsulfonyl-N-pyrazolo[1,5-a]pyridin-5-ylpiperidine-4-carboxamide
CID 91629374

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide (CID 110730828) is N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is GIWZSPCECPPCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-22(20,21)18-8-5-12(6-9-18)15(19)17-13-3-2-11-4-7-16-14(11)10-13/h2-4,7,10,12,16H,5-6,8-9H2,1H3,(H,17,19).
What are the key properties of N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 110730828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).