1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid

C18H32N2O4 — CID 122121407

IUPAC1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(CC(=O)NCCCOC2CCCCC2)C1
InChIInChI=1S/C18H32N2O4/c1-14-10-15(18(22)23)12-20(11-14)13-17(21)19-8-5-9-24-16-6-3-2-4-7-16/h14-16H,2-13H2,1H3,(H,19,21)(H,22,23)
InChIKeyFNYCCEOAXRQUPR-UHFFFAOYSA-N
MW340.46 g/mol
LogP1.88
Rot. Bonds8

About 1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122121407) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122121407
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(CC(=O)NCCCOC2CCCCC2)C1
InChIInChI=1S/C18H32N2O4/c1-14-10-15(18(22)23)12-20(11-14)13-17(21)19-8-5-9-24-16-6-3-2-4-7-16/h14-16H,2-13H2,1H3,(H,19,21)(H,22,23)
InChIKeyFNYCCEOAXRQUPR-UHFFFAOYSA-N
XLogP1.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.88
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-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908413
N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 87015240
trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365859
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 79286966
4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674146
1-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121575
5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964201
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122316
1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63032025
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid (CID 122121407) is 1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(CC(=O)NCCCOC2CCCCC2)C1.
What is the InChIKey of 1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is FNYCCEOAXRQUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-14-10-15(18(22)23)12-20(11-14)13-17(21)19-8-5-9-24-16-6-3-2-4-7-16/h14-16H,2-13H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 340.46 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122121407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).