1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C16H28N2O5 — CID 122122282

IUPAC1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOC(=O)CCCCCCNC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C16H28N2O5/c1-12-9-13(15(20)21)11-18(10-12)16(22)17-8-6-4-3-5-7-14(19)23-2/h12-13H,3-11H2,1-2H3,(H,17,22)(H,20,21)
InChIKeySLJJFKDMNCPOKP-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.86
Rot. Bonds8

About 1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122122282) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122122282
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOC(=O)CCCCCCNC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C16H28N2O5/c1-12-9-13(15(20)21)11-18(10-12)16(22)17-8-6-4-3-5-7-14(19)23-2/h12-13H,3-11H2,1-2H3,(H,17,22)(H,20,21)
InChIKeySLJJFKDMNCPOKP-UHFFFAOYSA-N
XLogP1.86
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.86
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

1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197
1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122316
methyl 6-(azepane-1-carbonylamino)hexanoate
CID 113224252
methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate
CID 73402042
1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122172
1-[4-(4-fluorophenoxy)butylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122228
1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123956
5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
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
1-[[1-(methoxymethyl)cyclopentyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124096

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122122282) is 1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is COC(=O)CCCCCCNC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is SLJJFKDMNCPOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-12-9-13(15(20)21)11-18(10-12)16(22)17-8-6-4-3-5-7-14(19)23-2/h12-13H,3-11H2,1-2H3,(H,17,22)(H,20,21).
What are the key properties of 1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122122282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).