2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide

C14H26N2O — CID 56701855

IUPAC2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide
SMILESCCC/C=C/CN1CCC(CC(=O)NC)CC1
InChIInChI=1S/C14H26N2O/c1-3-4-5-6-9-16-10-7-13(8-11-16)12-14(17)15-2/h5-6,13H,3-4,7-12H2,1-2H3,(H,15,17)/b6-5+
InChIKeyWQWIYQRWQWZCEG-AATRIKPKSA-N
MW238.37 g/mol
LogP2.19
Rot. Bonds6

About 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide

2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 56701855) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide
PubChem CID56701855
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide
SMILESCCC/C=C/CN1CCC(CC(=O)NC)CC1
InChIInChI=1S/C14H26N2O/c1-3-4-5-6-9-16-10-7-13(8-11-16)12-14(17)15-2/h5-6,13H,3-4,7-12H2,1-2H3,(H,15,17)/b6-5+
InChIKeyWQWIYQRWQWZCEG-AATRIKPKSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.19
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 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide (CID 56701855) is 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide is CCC/C=C/CN1CCC(CC(=O)NC)CC1.
What is the InChIKey of 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is WQWIYQRWQWZCEG-AATRIKPKSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-4-5-6-9-16-10-7-13(8-11-16)12-14(17)15-2/h5-6,13H,3-4,7-12H2,1-2H3,(H,15,17)/b6-5+.
What are the key properties of 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide?
2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 238.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 56701855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).