N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide

C20H26N2O4S — CID 90524448

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCC(O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H26N2O4S/c1-27(25,26)22-13-10-16(11-14-22)20(24)21-12-9-19(23)18-8-4-6-15-5-2-3-7-17(15)18/h2-8,16,19,23H,9-14H2,1H3,(H,21,24)
InChIKeyKKQYNAJBPXFQQT-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.05
Rot. Bonds6

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 90524448) has the molecular formula C20H26N2O4S and a molecular weight of 390.50 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID90524448
Molecular FormulaC20H26N2O4S
Molecular Weight390.50 g/mol
Exact Mass390.16
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCC(O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H26N2O4S/c1-27(25,26)22-13-10-16(11-14-22)20(24)21-12-9-19(23)18-8-4-6-15-5-2-3-7-17(15)18/h2-8,16,19,23H,9-14H2,1H3,(H,21,24)
InChIKeyKKQYNAJBPXFQQT-UHFFFAOYSA-N
XLogP2.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-3-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 97414297
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 112506462
N-(3-benzylsulfanylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 56920016
1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
CID 30016105
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 44591958
1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide
CID 56920324
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
CID 71787908

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 90524448) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCCC(O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is KKQYNAJBPXFQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-27(25,26)22-13-10-16(11-14-22)20(24)21-12-9-19(23)18-8-4-6-15-5-2-3-7-17(15)18/h2-8,16,19,23H,9-14H2,1H3,(H,21,24).
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 390.50 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 90524448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).