3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid

C16H26N2O3 — CID 62209949

IUPAC3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)NCC2CC=CCC2)CC1
InChIInChI=1S/C16H26N2O3/c19-15(20)7-6-13-8-10-18(11-9-13)16(21)17-12-14-4-2-1-3-5-14/h1-2,13-14H,3-12H2,(H,17,21)(H,19,20)
InChIKeyWWMVMJCLTSYSOY-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.63
Rot. Bonds5

About 3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid

3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid (PubChem CID 62209949) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid
PubChem CID62209949
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)NCC2CC=CCC2)CC1
InChIInChI=1S/C16H26N2O3/c19-15(20)7-6-13-8-10-18(11-9-13)16(21)17-12-14-4-2-1-3-5-14/h1-2,13-14H,3-12H2,(H,17,21)(H,19,20)
InChIKeyWWMVMJCLTSYSOY-UHFFFAOYSA-N
XLogP2.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
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 3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid (CID 62209949) is 3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)NCC2CC=CCC2)CC1.
What is the InChIKey of 3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid?
The InChIKey is WWMVMJCLTSYSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-15(20)7-6-13-8-10-18(11-9-13)16(21)17-12-14-4-2-1-3-5-14/h1-2,13-14H,3-12H2,(H,17,21)(H,19,20).
What are the key properties of 3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid?
3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid has a molecular weight of 294.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62209949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).