methyl 2-(1-hexanoylpiperidin-4-yl)acetate

C14H25NO3 — CID 94830715

IUPACmethyl 2-(1-hexanoylpiperidin-4-yl)acetate
SMILESCCCCCC(=O)N1CCC(CC(=O)OC)CC1
InChIInChI=1S/C14H25NO3/c1-3-4-5-6-13(16)15-9-7-12(8-10-15)11-14(17)18-2/h12H,3-11H2,1-2H3
InChIKeyBFFMBWYVKUNOBL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.37
Rot. Bonds6

About methyl 2-(1-hexanoylpiperidin-4-yl)acetate

methyl 2-(1-hexanoylpiperidin-4-yl)acetate (PubChem CID 94830715) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 2-(1-hexanoylpiperidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-hexanoylpiperidin-4-yl)acetate
PubChem CID94830715
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 2-(1-hexanoylpiperidin-4-yl)acetate
SMILESCCCCCC(=O)N1CCC(CC(=O)OC)CC1
InChIInChI=1S/C14H25NO3/c1-3-4-5-6-13(16)15-9-7-12(8-10-15)11-14(17)18-2/h12H,3-11H2,1-2H3
InChIKeyBFFMBWYVKUNOBL-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate
CID 28748566
methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 62371123
1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
CID 119648376
1-(4-bromopiperidin-1-yl)decan-1-one
CID 80661862

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hexanoylpiperidin-4-yl)acetate?
The IUPAC name of methyl 2-(1-hexanoylpiperidin-4-yl)acetate (CID 94830715) is methyl 2-(1-hexanoylpiperidin-4-yl)acetate.
What is the SMILES notation for methyl 2-(1-hexanoylpiperidin-4-yl)acetate?
The canonical SMILES for methyl 2-(1-hexanoylpiperidin-4-yl)acetate is CCCCCC(=O)N1CCC(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-(1-hexanoylpiperidin-4-yl)acetate?
The InChIKey is BFFMBWYVKUNOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-4-5-6-13(16)15-9-7-12(8-10-15)11-14(17)18-2/h12H,3-11H2,1-2H3.
What are the key properties of methyl 2-(1-hexanoylpiperidin-4-yl)acetate?
methyl 2-(1-hexanoylpiperidin-4-yl)acetate has a molecular weight of 255.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hexanoylpiperidin-4-yl)acetate is sourced from PubChem (CID 94830715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).