N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C17H24N2O4S — CID 71782164

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC2(O)CCc3ccccc32)CC1
InChIInChI=1S/C17H24N2O4S/c1-24(22,23)19-10-7-14(8-11-19)16(20)18-12-17(21)9-6-13-4-2-3-5-15(13)17/h2-5,14,21H,6-12H2,1H3,(H,18,20)
InChIKeyFLSDZAVNJDMEBT-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.61
Rot. Bonds4

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 71782164) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID71782164
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC2(O)CCc3ccccc32)CC1
InChIInChI=1S/C17H24N2O4S/c1-24(22,23)19-10-7-14(8-11-19)16(20)18-12-17(21)9-6-13-4-2-3-5-15(13)17/h2-5,14,21H,6-12H2,1H3,(H,18,20)
InChIKeyFLSDZAVNJDMEBT-UHFFFAOYSA-N
XLogP0.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylsulfonyl)propanamide
CID 71782165
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)cyclohex-3-enecarboxamide
CID 71796723
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 91631305
N-[(S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-mesyl-4-piperidinecarboxamide
CID 95379448
1-methanesulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 71781986
4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one
CID 164631233
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 56136204
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 60314139
1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]piperidine-4-carboxamide
CID 95376512
1-methylsulfonyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]piperidine-4-carboxamide
CID 95376513
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110291411
N-(2-hydroxy-2-methyl-4-phenylbutyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 56764267

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 71782164) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCC2(O)CCc3ccccc32)CC1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is FLSDZAVNJDMEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-24(22,23)19-10-7-14(8-11-19)16(20)18-12-17(21)9-6-13-4-2-3-5-15(13)17/h2-5,14,21H,6-12H2,1H3,(H,18,20).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71782164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).