4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

C13H19N3O4 — CID 79215858

IUPAC4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)NC2C=CC(C(=O)O)C2)CC1
InChIInChI=1S/C13H19N3O4/c14-11(17)8-3-5-16(6-4-8)13(20)15-10-2-1-9(7-10)12(18)19/h1-2,8-10H,3-7H2,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyADZTYKIMHIJGBQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.08
Rot. Bonds3

About 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79215858) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79215858
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)NC2C=CC(C(=O)O)C2)CC1
InChIInChI=1S/C13H19N3O4/c14-11(17)8-3-5-16(6-4-8)13(20)15-10-2-1-9(7-10)12(18)19/h1-2,8-10H,3-7H2,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyADZTYKIMHIJGBQ-UHFFFAOYSA-N
XLogP-0.08
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methylazepane-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216790
4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216909
4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 102961866
4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 113418295
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762
4-[(2-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216891
4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216190
4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79211540
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 102727428
4-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79191673
4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209356
4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 83020303

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79215858) is 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is NC(=O)C1CCN(C(=O)NC2C=CC(C(=O)O)C2)CC1.
What is the InChIKey of 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is ADZTYKIMHIJGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c14-11(17)8-3-5-16(6-4-8)13(20)15-10-2-1-9(7-10)12(18)19/h1-2,8-10H,3-7H2,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79215858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).