1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid

C13H20N2O3 — CID 113475807

IUPAC1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)NC2CC=CC2)C1
InChIInChI=1S/C13H20N2O3/c1-13(11(16)17)7-4-8-15(9-13)12(18)14-10-5-2-3-6-10/h2-3,10H,4-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyZBBYKDUHMGFOQO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.60
Rot. Bonds2

About 1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid

1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 113475807) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID113475807
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)NC2CC=CC2)C1
InChIInChI=1S/C13H20N2O3/c1-13(11(16)17)7-4-8-15(9-13)12(18)14-10-5-2-3-6-10/h2-3,10H,4-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyZBBYKDUHMGFOQO-UHFFFAOYSA-N
XLogP1.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.60
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

3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135568
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 114549111
1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136585
1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63138272
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984032
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
1-[(4-methoxycyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017394
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931
3-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63135667

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid (CID 113475807) is 1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)NC2CC=CC2)C1.
What is the InChIKey of 1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is ZBBYKDUHMGFOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(11(16)17)7-4-8-15(9-13)12(18)14-10-5-2-3-6-10/h2-3,10H,4-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 113475807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).