N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide

C16H28N2O2 — CID 63876296

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide
SMILESO=C(CCOC1CCNCC1)NCCC1=CCCCC1
InChIInChI=1S/C16H28N2O2/c19-16(9-13-20-15-7-10-17-11-8-15)18-12-6-14-4-2-1-3-5-14/h4,15,17H,1-3,5-13H2,(H,18,19)
InChIKeyCMLQUASJERFWTQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.15
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide (PubChem CID 63876296) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide
PubChem CID63876296
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide
SMILESO=C(CCOC1CCNCC1)NCCC1=CCCCC1
InChIInChI=1S/C16H28N2O2/c19-16(9-13-20-15-7-10-17-11-8-15)18-12-6-14-4-2-1-3-5-14/h4,15,17H,1-3,5-13H2,(H,18,19)
InChIKeyCMLQUASJERFWTQ-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide (CID 63876296) is N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide is O=C(CCOC1CCNCC1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide?
The InChIKey is CMLQUASJERFWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-16(9-13-20-15-7-10-17-11-8-15)18-12-6-14-4-2-1-3-5-14/h4,15,17H,1-3,5-13H2,(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide 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 N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide is sourced from PubChem (CID 63876296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).