2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide

C13H22N2O2 — CID 94215565

IUPAC2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide
SMILESCC/C=C(\C)C(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C13H22N2O2/c1-3-4-10(2)13(17)15-7-5-11(6-8-15)9-12(14)16/h4,11H,3,5-9H2,1-2H3,(H2,14,16)/b10-4+
InChIKeyANMJBQKPNKTKPF-ONNFQVAWSA-N
MW238.33 g/mol
LogP1.46
Rot. Bonds4

About 2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide

2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide (PubChem CID 94215565) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide
PubChem CID94215565
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide
SMILESCC/C=C(\C)C(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C13H22N2O2/c1-3-4-10(2)13(17)15-7-5-11(6-8-15)9-12(14)16/h4,11H,3,5-9H2,1-2H3,(H2,14,16)/b10-4+
InChIKeyANMJBQKPNKTKPF-ONNFQVAWSA-N
XLogP1.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide (CID 94215565) is 2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide is CC/C=C(\C)C(=O)N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide?
The InChIKey is ANMJBQKPNKTKPF-ONNFQVAWSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-4-10(2)13(17)15-7-5-11(6-8-15)9-12(14)16/h4,11H,3,5-9H2,1-2H3,(H2,14,16)/b10-4+.
What are the key properties of 2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide?
2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide has a molecular weight of 238.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-2-methylpent-2-enoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 94215565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).