methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate

C14H26N2O3 — CID 82852684

IUPACmethyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CCCC(C)N
InChIInChI=1S/C14H26N2O3/c1-11(15)6-5-8-13(17)16-9-4-3-7-12(16)10-14(18)19-2/h11-12H,3-10,15H2,1-2H3
InChIKeyDSCMSIMVHCKUNQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.45
Rot. Bonds6

About methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate

methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate (PubChem CID 82852684) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate
PubChem CID82852684
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CCCC(C)N
InChIInChI=1S/C14H26N2O3/c1-11(15)6-5-8-13(17)16-9-4-3-7-12(16)10-14(18)19-2/h11-12H,3-10,15H2,1-2H3
InChIKeyDSCMSIMVHCKUNQ-UHFFFAOYSA-N
XLogP1.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 54916732
methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate
CID 82851617
methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate
CID 61156720
methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
CID 54916660
methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
CID 61157077
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755
4-amino-1-[2-(3-methylbutyl)piperidin-1-yl]pentan-1-one
CID 120564107
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 23251970
methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate
CID 61009967
2-[(2S)-1-(4-methylpentanoyl)piperidin-2-yl]acetamide
CID 95296140
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate (CID 82852684) is methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)CCCC(C)N.
What is the InChIKey of methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate?
The InChIKey is DSCMSIMVHCKUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(15)6-5-8-13(17)16-9-4-3-7-12(16)10-14(18)19-2/h11-12H,3-10,15H2,1-2H3.
What are the key properties of methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate?
methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate has a molecular weight of 270.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 82852684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).