5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid

C15H26N2O5S — CID 122123824

IUPAC5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCC2(S(C)(=O)=O)CCCC2)C1
InChIInChI=1S/C15H26N2O5S/c1-11-7-12(13(18)19)9-17(8-11)14(20)16-10-15(23(2,21)22)5-3-4-6-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBVKHVGWTZAGFAJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.10
Rot. Bonds4

About 5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122123824) has the molecular formula C15H26N2O5S and a molecular weight of 346.45 g/mol. Its IUPAC name is 5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122123824
Molecular FormulaC15H26N2O5S
Molecular Weight346.45 g/mol
Exact Mass346.16
IUPAC Name5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCC2(S(C)(=O)=O)CCCC2)C1
InChIInChI=1S/C15H26N2O5S/c1-11-7-12(13(18)19)9-17(8-11)14(20)16-10-15(23(2,21)22)5-3-4-6-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBVKHVGWTZAGFAJ-UHFFFAOYSA-N
XLogP1.10
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethoxycyclopentyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123962
1-[[1-(methoxymethyl)cyclopentyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124096
5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123657
1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123170
1-[2-(ethylsulfonylamino)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122212
1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123956
5-methyl-1-[(2-methyl-1,3-dihydroinden-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123345
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122879
5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 122123942
5-methyl-1-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123957
5-methyl-1-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122124025

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 122123824) is 5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCC2(S(C)(=O)=O)CCCC2)C1.
What is the InChIKey of 5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BVKHVGWTZAGFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5S/c1-11-7-12(13(18)19)9-17(8-11)14(20)16-10-15(23(2,21)22)5-3-4-6-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 346.45 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122123824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).