methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate

C15H26N2O4 — CID 78918849

IUPACmethyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)CCCCCNC(C)=O)C1
InChIInChI=1S/C15H26N2O4/c1-12(18)16-9-5-3-4-8-14(19)17-10-6-7-13(11-17)15(20)21-2/h13H,3-11H2,1-2H3,(H,16,18)
InChIKeyTUZUJOUWBYMJCV-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.09
Rot. Bonds7

About methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate

methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate (PubChem CID 78918849) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate
PubChem CID78918849
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)CCCCCNC(C)=O)C1
InChIInChI=1S/C15H26N2O4/c1-12(18)16-9-5-3-4-8-14(19)17-10-6-7-13(11-17)15(20)21-2/h13H,3-11H2,1-2H3,(H,16,18)
InChIKeyTUZUJOUWBYMJCV-UHFFFAOYSA-N
XLogP1.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341
methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate
CID 115538681
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 81125297
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate
CID 78919240
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
1-decanoylpiperidine-3-carboperoxoic acid
CID 19094881
ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate
CID 110838807
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate (CID 78918849) is methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)CCCCCNC(C)=O)C1.
What is the InChIKey of methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate?
The InChIKey is TUZUJOUWBYMJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-12(18)16-9-5-3-4-8-14(19)17-10-6-7-13(11-17)15(20)21-2/h13H,3-11H2,1-2H3,(H,16,18).
What are the key properties of methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate?
methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 78918849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).