4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

C15H25N3O3 — CID 79191171

IUPAC4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCN1CCC(N(C)C(=O)NC2C=CC(C(=O)O)C2)CC1
InChIInChI=1S/C15H25N3O3/c1-3-18-8-6-13(7-9-18)17(2)15(21)16-12-5-4-11(10-12)14(19)20/h4-5,11-13H,3,6-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyFRQVHGQVBROCQI-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.14
Rot. Bonds4

About 4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79191171) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79191171
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCN1CCC(N(C)C(=O)NC2C=CC(C(=O)O)C2)CC1
InChIInChI=1S/C15H25N3O3/c1-3-18-8-6-13(7-9-18)17(2)15(21)16-12-5-4-11(10-12)14(19)20/h4-5,11-13H,3,6-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyFRQVHGQVBROCQI-UHFFFAOYSA-N
XLogP1.14
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 79191688
CID 79191688
CID 79191689
CID 79191689
CID 79210338
CID 79210338
CID 79216489
CID 79216489
CID 79216572
CID 79216572
CID 79216712
CID 79216712
CID 79216781
CID 79216781
CID 79216854
CID 79216854
CID 105945229
CID 105945229
CID 114490456
CID 114490456
CID 115521442
CID 115521442
CID 116316144
CID 116316144

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79191171) is 4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is CCN1CCC(N(C)C(=O)NC2C=CC(C(=O)O)C2)CC1.
What is the InChIKey of 4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is FRQVHGQVBROCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-18-8-6-13(7-9-18)17(2)15(21)16-12-5-4-11(10-12)14(19)20/h4-5,11-13H,3,6-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79191171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).