N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide

C13H23BrN2O3 — CID 114014853

IUPACN-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(C(=O)CCCCBr)CC1
InChIInChI=1S/C13H23BrN2O3/c1-19-10-12(17)15-11-5-8-16(9-6-11)13(18)4-2-3-7-14/h11H,2-10H2,1H3,(H,15,17)
InChIKeyNPELCBXBPBTJNM-UHFFFAOYSA-N
MW335.24 g/mol
LogP1.31
Rot. Bonds7

About N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide

N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide (PubChem CID 114014853) has the molecular formula C13H23BrN2O3 and a molecular weight of 335.24 g/mol. Its IUPAC name is N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide
PubChem CID114014853
Molecular FormulaC13H23BrN2O3
Molecular Weight335.24 g/mol
Exact Mass334.09
IUPAC NameN-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(C(=O)CCCCBr)CC1
InChIInChI=1S/C13H23BrN2O3/c1-19-10-12(17)15-11-5-8-16(9-6-11)13(18)4-2-3-7-14/h11H,2-10H2,1H3,(H,15,17)
InChIKeyNPELCBXBPBTJNM-UHFFFAOYSA-N
XLogP1.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 54872286
N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide
CID 63680285
4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
CID 54875415
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
CID 59803139
CID 59803139
5-bromo-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 107908012
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]-2-methoxyacetamide
CID 64611592
N-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-2-methoxyacetamide
CID 65466624
5-bromo-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 107910170
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108562763
5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
CID 113402147
5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one
CID 114014883

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide (CID 114014853) is N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(C(=O)CCCCBr)CC1.
What is the InChIKey of N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide?
The InChIKey is NPELCBXBPBTJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2O3/c1-19-10-12(17)15-11-5-8-16(9-6-11)13(18)4-2-3-7-14/h11H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide?
N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide has a molecular weight of 335.24 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 114014853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).