2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid

C15H24N2O3 — CID 62676289

IUPAC2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NCC2CC=CCC2)C1
InChIInChI=1S/C15H24N2O3/c18-14(19)9-13-7-4-8-17(11-13)15(20)16-10-12-5-2-1-3-6-12/h1-2,12-13H,3-11H2,(H,16,20)(H,18,19)
InChIKeyFVHVLOLXACWRKO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.24
Rot. Bonds4

About 2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid

2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid (PubChem CID 62676289) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
PubChem CID62676289
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NCC2CC=CCC2)C1
InChIInChI=1S/C15H24N2O3/c18-14(19)9-13-7-4-8-17(11-13)15(20)16-10-12-5-2-1-3-6-12/h1-2,12-13H,3-11H2,(H,16,20)(H,18,19)
InChIKeyFVHVLOLXACWRKO-UHFFFAOYSA-N
XLogP2.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.24
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 2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid (CID 62676289) is 2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)NCC2CC=CCC2)C1.
What is the InChIKey of 2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid?
The InChIKey is FVHVLOLXACWRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-14(19)9-13-7-4-8-17(11-13)15(20)16-10-12-5-2-1-3-6-12/h1-2,12-13H,3-11H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid?
2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62676289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).