2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide

C16H28N2O2 — CID 63869446

IUPAC2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide
SMILESO=C(CC1=CCCCC1)NCCCOC1CCNCC1
InChIInChI=1S/C16H28N2O2/c19-16(13-14-5-2-1-3-6-14)18-9-4-12-20-15-7-10-17-11-8-15/h5,15,17H,1-4,6-13H2,(H,18,19)
InChIKeyONFQEBXPZOQVNP-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.15
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide

2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide (PubChem CID 63869446) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide
PubChem CID63869446
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide
SMILESO=C(CC1=CCCCC1)NCCCOC1CCNCC1
InChIInChI=1S/C16H28N2O2/c19-16(13-14-5-2-1-3-6-14)18-9-4-12-20-15-7-10-17-11-8-15/h5,15,17H,1-4,6-13H2,(H,18,19)
InChIKeyONFQEBXPZOQVNP-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide (CID 63869446) is 2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide is O=C(CC1=CCCCC1)NCCCOC1CCNCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide?
The InChIKey is ONFQEBXPZOQVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-16(13-14-5-2-1-3-6-14)18-9-4-12-20-15-7-10-17-11-8-15/h5,15,17H,1-4,6-13H2,(H,18,19).
What are the key properties of 2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide?
2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide has a molecular weight of 280.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(3-piperidin-4-yloxypropyl)acetamide is sourced from PubChem (CID 63869446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).