1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid

C15H24N2O3 — CID 106178428

IUPAC1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)NCCC1=CCCC1
InChIInChI=1S/C15H24N2O3/c1-11-10-13(14(18)19)7-9-17(11)15(20)16-8-6-12-4-2-3-5-12/h4,11,13H,2-3,5-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyMFUCLFDWWJFVTL-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.38
Rot. Bonds4

About 1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106178428) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106178428
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)NCCC1=CCCC1
InChIInChI=1S/C15H24N2O3/c1-11-10-13(14(18)19)7-9-17(11)15(20)16-8-6-12-4-2-3-5-12/h4,11,13H,2-3,5-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyMFUCLFDWWJFVTL-UHFFFAOYSA-N
XLogP2.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122010196
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010199
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744621
2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744300
4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 103994441
1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106743904
3-[1-[2-(cyclopenten-1-yl)ethylcarbamoyl]pyrrolidin-3-yl]propanoic acid
CID 106178480
2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 106178034
1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid
CID 82476753
2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 106744451
2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744591
1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744370

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 106178428) is 1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)NCCC1=CCCC1.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is MFUCLFDWWJFVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-10-13(14(18)19)7-9-17(11)15(20)16-8-6-12-4-2-3-5-12/h4,11,13H,2-3,5-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106178428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).