1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C16H28N2O4 — CID 122123170

IUPAC1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOCCC1(CNC(=O)N2CC(C)CC(C(=O)O)C2)CCC1
InChIInChI=1S/C16H28N2O4/c1-12-8-13(14(19)20)10-18(9-12)15(21)17-11-16(4-3-5-16)6-7-22-2/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyALVLSXDQJXUJAT-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.95
Rot. Bonds6

About 1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123170) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123170
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOCCC1(CNC(=O)N2CC(C)CC(C(=O)O)C2)CCC1
InChIInChI=1S/C16H28N2O4/c1-12-8-13(14(19)20)10-18(9-12)15(21)17-11-16(4-3-5-16)6-7-22-2/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyALVLSXDQJXUJAT-UHFFFAOYSA-N
XLogP1.95
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(methoxymethyl)cyclopentyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124096
1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006584
1-[(1-ethoxycyclopentyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123962
1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123956
5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123657
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197
5-methyl-1-[(1-methylsulfonylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123824
1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006604
1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122852
1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006393
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71850983
1-[[1-(2-ethoxyethyl)cyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007515

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123170) is 1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is COCCC1(CNC(=O)N2CC(C)CC(C(=O)O)C2)CCC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is ALVLSXDQJXUJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-12-8-13(14(19)20)10-18(9-12)15(21)17-11-16(4-3-5-16)6-7-22-2/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 312.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).