methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate

C13H24N2O3 — CID 82851617

IUPACmethyl 1-(5-aminohexanoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)CCCC(C)N
InChIInChI=1S/C13H24N2O3/c1-10(14)6-5-8-12(16)15-9-4-3-7-11(15)13(17)18-2/h10-11H,3-9,14H2,1-2H3
InChIKeyAXIKRNQDFBLLAN-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.06
Rot. Bonds5

About methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate

methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate (PubChem CID 82851617) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-aminohexanoyl)piperidine-2-carboxylate
PubChem CID82851617
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 1-(5-aminohexanoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)CCCC(C)N
InChIInChI=1S/C13H24N2O3/c1-10(14)6-5-8-12(16)15-9-4-3-7-11(15)13(17)18-2/h10-11H,3-9,14H2,1-2H3
InChIKeyAXIKRNQDFBLLAN-UHFFFAOYSA-N
XLogP1.06
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate
CID 79200751
methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate
CID 82852684
methyl 1-(4-ethoxybutanoyl)pyrrolidine-2-carboxylate
CID 112729164
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate
CID 115536150
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 115280159
methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate
CID 54870307

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate (CID 82851617) is methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)CCCC(C)N.
What is the InChIKey of methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate?
The InChIKey is AXIKRNQDFBLLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(14)6-5-8-12(16)15-9-4-3-7-11(15)13(17)18-2/h10-11H,3-9,14H2,1-2H3.
What are the key properties of methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate?
methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 82851617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).