methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate

C14H26N2O4 — CID 62358151

IUPACmethyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)CN1CCCC(CCO)C1
InChIInChI=1S/C14H26N2O4/c1-20-14(19)5-2-7-15-13(18)11-16-8-3-4-12(10-16)6-9-17/h12,17H,2-11H2,1H3,(H,15,18)
InChIKeyCPNRHVNVGCWNOI-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.15
Rot. Bonds8

About methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate

methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate (PubChem CID 62358151) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate
PubChem CID62358151
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)CN1CCCC(CCO)C1
InChIInChI=1S/C14H26N2O4/c1-20-14(19)5-2-7-15-13(18)11-16-8-3-4-12(10-16)6-9-17/h12,17H,2-11H2,1H3,(H,15,18)
InChIKeyCPNRHVNVGCWNOI-UHFFFAOYSA-N
XLogP0.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[3-(hydroxymethyl)piperidin-1-yl]acetyl]amino]butanoate
CID 60672200
methyl 4-[[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 55030515
N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648230
methyl 4-[[2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]acetyl]amino]butanoate
CID 95275410
methyl 4-[[2-[3-(methylamino)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 113281991
methyl 4-[[2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 94449392
methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 115648226
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 94209171
methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate
CID 81460156
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63849542
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 62356988
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62356143

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate?
The IUPAC name of methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate (CID 62358151) is methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate?
The canonical SMILES for methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate is COC(=O)CCCNC(=O)CN1CCCC(CCO)C1.
What is the InChIKey of methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate?
The InChIKey is CPNRHVNVGCWNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-20-14(19)5-2-7-15-13(18)11-16-8-3-4-12(10-16)6-9-17/h12,17H,2-11H2,1H3,(H,15,18).
What are the key properties of methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate?
methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate has a molecular weight of 286.37 g/mol, XLogP of 0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate is sourced from PubChem (CID 62358151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).