2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid

C16H26N2O5 — CID 120975412

IUPAC2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESCOCCNC(=O)C1CCC(C)N(C(=O)C2CCC2C(=O)O)C1
InChIInChI=1S/C16H26N2O5/c1-10-3-4-11(14(19)17-7-8-23-2)9-18(10)15(20)12-5-6-13(12)16(21)22/h10-13H,3-9H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyMIGXRDDWLQIJEX-UHFFFAOYSA-N
MW326.39 g/mol
LogP0.49
Rot. Bonds6

About 2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid

2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid (PubChem CID 120975412) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid
PubChem CID120975412
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESCOCCNC(=O)C1CCC(C)N(C(=O)C2CCC2C(=O)O)C1
InChIInChI=1S/C16H26N2O5/c1-10-3-4-11(14(19)17-7-8-23-2)9-18(10)15(20)12-5-6-13(12)16(21)22/h10-13H,3-9H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyMIGXRDDWLQIJEX-UHFFFAOYSA-N
XLogP0.49
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid
CID 122019084
2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182113
2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95150630
(3R,6R)-1-(4-ethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671477
(3S,6S)-1-(3,4-difluorobenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671496
(3S,6R)-1-(3-fluoro-4-methylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671510
6-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182103
(3R,6S)-N-(2-methoxyethyl)-6-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxamide
CID 97221330
(3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 97072416
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055365
(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide
CID 93328250

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid (CID 120975412) is 2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid is COCCNC(=O)C1CCC(C)N(C(=O)C2CCC2C(=O)O)C1.
What is the InChIKey of 2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
The InChIKey is MIGXRDDWLQIJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-10-3-4-11(14(19)17-7-8-23-2)9-18(10)15(20)12-5-6-13(12)16(21)22/h10-13H,3-9H2,1-2H3,(H,17,19)(H,21,22).
What are the key properties of 2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid has a molecular weight of 326.39 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).