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

C14H24N2O3S — CID 122123657

IUPAC5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCSC1(CNC(=O)N2CC(C)CC(C(=O)O)C2)CCC1
InChIInChI=1S/C14H24N2O3S/c1-10-6-11(12(17)18)8-16(7-10)13(19)15-9-14(20-2)4-3-5-14/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOXMZCCSQTGQQAL-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.02
Rot. Bonds4

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

5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122123657) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122123657
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCSC1(CNC(=O)N2CC(C)CC(C(=O)O)C2)CCC1
InChIInChI=1S/C14H24N2O3S/c1-10-6-11(12(17)18)8-16(7-10)13(19)15-9-14(20-2)4-3-5-14/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOXMZCCSQTGQQAL-UHFFFAOYSA-N
XLogP2.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethoxycyclopentyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123962
5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123824
1-[[1-(methoxymethyl)cyclopentyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124096
1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123170
2-[1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 114117120
1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123956
2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 114116876
3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114117009
2-[1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 114116892
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 122123657) is 5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid is CSC1(CNC(=O)N2CC(C)CC(C(=O)O)C2)CCC1.
What is the InChIKey of 5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is OXMZCCSQTGQQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-10-6-11(12(17)18)8-16(7-10)13(19)15-9-14(20-2)4-3-5-14/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 300.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122123657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).