N-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide

C15H28N2O — CID 56705829

IUPACN-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide
SMILESC=CCC(C)(C)CN1CCCC(CNC(C)=O)C1
InChIInChI=1S/C15H28N2O/c1-5-8-15(3,4)12-17-9-6-7-14(11-17)10-16-13(2)18/h5,14H,1,6-12H2,2-4H3,(H,16,18)
InChIKeyMJIWRESWNGZPBV-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.44
Rot. Bonds6

About N-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide

N-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide (PubChem CID 56705829) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide
PubChem CID56705829
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide
SMILESC=CCC(C)(C)CN1CCCC(CNC(C)=O)C1
InChIInChI=1S/C15H28N2O/c1-5-8-15(3,4)12-17-9-6-7-14(11-17)10-16-13(2)18/h5,14H,1,6-12H2,2-4H3,(H,16,18)
InChIKeyMJIWRESWNGZPBV-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide (CID 56705829) is N-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide is C=CCC(C)(C)CN1CCCC(CNC(C)=O)C1.
What is the InChIKey of N-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is MJIWRESWNGZPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-8-15(3,4)12-17-9-6-7-14(11-17)10-16-13(2)18/h5,14H,1,6-12H2,2-4H3,(H,16,18).
What are the key properties of N-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide?
N-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 252.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-dimethylpent-4-enyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 56705829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).