1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid

C16H25NO3 — CID 63134415

IUPAC1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C16H25NO3/c1-2-9-16(15(19)20)10-6-11-17(12-16)14(18)13-7-4-3-5-8-13/h3-4,13H,2,5-12H2,1H3,(H,19,20)
InChIKeyUNXHBHMXVRMTIQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.84
Rot. Bonds4

About 1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid

1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63134415) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63134415
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C16H25NO3/c1-2-9-16(15(19)20)10-6-11-17(12-16)14(18)13-7-4-3-5-8-13/h3-4,13H,2,5-12H2,1H3,(H,19,20)
InChIKeyUNXHBHMXVRMTIQ-UHFFFAOYSA-N
XLogP2.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 63134415) is 1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)C2CC=CCC2)C1.
What is the InChIKey of 1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is UNXHBHMXVRMTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-9-16(15(19)20)10-6-11-17(12-16)14(18)13-7-4-3-5-8-13/h3-4,13H,2,5-12H2,1H3,(H,19,20).
What are the key properties of 1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-ene-1-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63134415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).