1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid

C15H24N2O3 — CID 79207145

IUPAC1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C15H24N2O3/c1-2-6-15(14(19)20)7-3-8-17(10-15)13(18)11-4-5-12(16)9-11/h4-5,11-12H,2-3,6-10,16H2,1H3,(H,19,20)
InChIKeyXJTPJNJBACYODK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.38
Rot. Bonds4

About 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid

1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 79207145) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID79207145
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C15H24N2O3/c1-2-6-15(14(19)20)7-3-8-17(10-15)13(18)11-4-5-12(16)9-11/h4-5,11-12H,2-3,6-10,16H2,1H3,(H,19,20)
InChIKeyXJTPJNJBACYODK-UHFFFAOYSA-N
XLogP1.38
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.38
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

(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
1-(4-aminooxolane-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 66236491
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79207238
1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107175461
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207
3-propyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 63137721
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-(3-amino-3-methylbutanoyl)-3-propylpiperidine-3-carboxylic acid
CID 64676856

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 79207145) is 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)C2C=CC(N)C2)C1.
What is the InChIKey of 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is XJTPJNJBACYODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-6-15(14(19)20)7-3-8-17(10-15)13(18)11-4-5-12(16)9-11/h4-5,11-12H,2-3,6-10,16H2,1H3,(H,19,20).
What are the key properties of 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 79207145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).