N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide

C14H26N2O2 — CID 102736688

IUPACN-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)CCCCN1CCC(CNC(C)=O)CC1
InChIInChI=1S/C14H26N2O2/c1-12(17)5-3-4-8-16-9-6-14(7-10-16)11-15-13(2)18/h14H,3-11H2,1-2H3,(H,15,18)
InChIKeyUFFBZJMMBTVWKA-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.59
Rot. Bonds7

About N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide

N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102736688) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide
PubChem CID102736688
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)CCCCN1CCC(CNC(C)=O)CC1
InChIInChI=1S/C14H26N2O2/c1-12(17)5-3-4-8-16-9-6-14(7-10-16)11-15-13(2)18/h14H,3-11H2,1-2H3,(H,15,18)
InChIKeyUFFBZJMMBTVWKA-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide
CID 102737013
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide
CID 102737035
N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
CID 102736385
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
CID 51116338
N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide
CID 105346505
4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
CID 59793355

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide (CID 102736688) is N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide is CC(=O)CCCCN1CCC(CNC(C)=O)CC1.
What is the InChIKey of N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is UFFBZJMMBTVWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(17)5-3-4-8-16-9-6-14(7-10-16)11-15-13(2)18/h14H,3-11H2,1-2H3,(H,15,18).
What are the key properties of N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).