1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C15H26N2O4 — CID 122123956

IUPAC1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOC1(CCNC(=O)N2CC(C)CC(C(=O)O)C2)CCC1
InChIInChI=1S/C15H26N2O4/c1-11-8-12(13(18)19)10-17(9-11)14(20)16-7-6-15(21-2)4-3-5-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRMVXRVYJOGBFPM-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.70
Rot. Bonds5

About 1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123956) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123956
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOC1(CCNC(=O)N2CC(C)CC(C(=O)O)C2)CCC1
InChIInChI=1S/C15H26N2O4/c1-11-8-12(13(18)19)10-17(9-11)14(20)16-7-6-15(21-2)4-3-5-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRMVXRVYJOGBFPM-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.70
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
1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123170
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197
1-[[1-(methoxymethyl)cyclopentyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124096
1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122282
5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123657
1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122316
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
1-[2-(ethylsulfonylamino)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122212
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123824
1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122852

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123956) is 1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is COC1(CCNC(=O)N2CC(C)CC(C(=O)O)C2)CCC1.
What is the InChIKey of 1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is RMVXRVYJOGBFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11-8-12(13(18)19)10-17(9-11)14(20)16-7-6-15(21-2)4-3-5-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).