1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid

C18H30N2O4 — CID 119236283

IUPAC1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)CCCC1CCCC1
InChIInChI=1S/C18H30N2O4/c1-19(16(21)8-4-7-14-5-2-3-6-14)13-17(22)20-11-9-15(10-12-20)18(23)24/h14-15H,2-13H2,1H3,(H,23,24)
InChIKeyHJMUYEWLNPOMRC-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.13
Rot. Bonds7

About 1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119236283) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID119236283
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)CCCC1CCCC1
InChIInChI=1S/C18H30N2O4/c1-19(16(21)8-4-7-14-5-2-3-6-14)13-17(22)20-11-9-15(10-12-20)18(23)24/h14-15H,2-13H2,1H3,(H,23,24)
InChIKeyHJMUYEWLNPOMRC-UHFFFAOYSA-N
XLogP2.13
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 97324533
1-[2-[3-(4-tert-butylphenyl)propanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236178
1-[2-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236385
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-[2-[methyl-[4-(2-methylphenoxy)butanoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236349
1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid
CID 120525461
1-[2-[2-(cyclopentanecarbonylamino)propanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236335
1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 86983173
1-[2-[methyl-[4-(thiophene-3-carbonylamino)butanoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236446
1-(4-cyclohexylbutanoyl)piperidine-4-carboxamide
CID 78784857
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid (CID 119236283) is 1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid is CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)CCCC1CCCC1.
What is the InChIKey of 1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is HJMUYEWLNPOMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-19(16(21)8-4-7-14-5-2-3-6-14)13-17(22)20-11-9-15(10-12-20)18(23)24/h14-15H,2-13H2,1H3,(H,23,24).
What are the key properties of 1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 338.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119236283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).