methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate

C15H26N2O4 — CID 43404532

IUPACmethyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C15H26N2O4/c1-12(18)17-10-7-13(8-11-17)15(20)16-9-5-3-4-6-14(19)21-2/h13H,3-11H2,1-2H3,(H,16,20)
InChIKeyJBCXMVHIHHQTLD-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.09
Rot. Bonds7

About methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate

methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate (PubChem CID 43404532) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate
PubChem CID43404532
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C15H26N2O4/c1-12(18)17-10-7-13(8-11-17)15(20)16-9-5-3-4-6-14(19)21-2/h13H,3-11H2,1-2H3,(H,16,20)
InChIKeyJBCXMVHIHHQTLD-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 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
CID 60778061
methyl 6-(azepane-1-carbonylamino)hexanoate
CID 113224252
methyl 4-(1-acetylpiperidin-4-yl)butanoate
CID 59786126
6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 119220092
methyl 6-(piperidine-3-carbonylamino)hexanoate
CID 119269488
methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate
CID 79173602
iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate
CID 144908622
tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
CID 4268905
ethyl 4-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]butanoate
CID 78794482
methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 111960285

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate (CID 43404532) is methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate?
The InChIKey is JBCXMVHIHHQTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-12(18)17-10-7-13(8-11-17)15(20)16-9-5-3-4-6-14(19)21-2/h13H,3-11H2,1-2H3,(H,16,20).
What are the key properties of methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate?
methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate 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 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate is sourced from PubChem (CID 43404532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).