N-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide

C15H28N2O — CID 56745447

IUPACN-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide
SMILESCC/C=C(\C)CN1CCCC(CCNC(C)=O)C1
InChIInChI=1S/C15H28N2O/c1-4-6-13(2)11-17-10-5-7-15(12-17)8-9-16-14(3)18/h6,15H,4-5,7-12H2,1-3H3,(H,16,18)/b13-6+
InChIKeyRLKJTWOUNDOAFN-AWNIVKPZSA-N
MW252.40 g/mol
LogP2.58
Rot. Bonds6

About N-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide

N-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide (PubChem CID 56745447) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide
PubChem CID56745447
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide
SMILESCC/C=C(\C)CN1CCCC(CCNC(C)=O)C1
InChIInChI=1S/C15H28N2O/c1-4-6-13(2)11-17-10-5-7-15(12-17)8-9-16-14(3)18/h6,15H,4-5,7-12H2,1-3H3,(H,16,18)/b13-6+
InChIKeyRLKJTWOUNDOAFN-AWNIVKPZSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.58
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 N-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide (CID 56745447) is N-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide is CC/C=C(\C)CN1CCCC(CCNC(C)=O)C1.
What is the InChIKey of N-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide?
The InChIKey is RLKJTWOUNDOAFN-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-6-13(2)11-17-10-5-7-15(12-17)8-9-16-14(3)18/h6,15H,4-5,7-12H2,1-3H3,(H,16,18)/b13-6+.
What are the key properties of N-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide?
N-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide has a molecular weight of 252.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 56745447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).