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

C14H27N3O3 — CID 81460156

IUPACmethyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate
SMILESCCC1CN(CC(=O)NCCCC(=O)OC)CCC1N
InChIInChI=1S/C14H27N3O3/c1-3-11-9-17(8-6-12(11)15)10-13(18)16-7-4-5-14(19)20-2/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyOFWVBSCICBZYCI-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.12
Rot. Bonds7

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

methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate (PubChem CID 81460156) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate
PubChem CID81460156
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Namemethyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate
SMILESCCC1CN(CC(=O)NCCCC(=O)OC)CCC1N
InChIInChI=1S/C14H27N3O3/c1-3-11-9-17(8-6-12(11)15)10-13(18)16-7-4-5-14(19)20-2/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyOFWVBSCICBZYCI-UHFFFAOYSA-N
XLogP0.12
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.12
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 2-(4-amino-3-ethylpiperidin-1-yl)acetate
CID 81460463
methyl 4-[[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 55030515
methyl 4-[[2-[3-(methylamino)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 113281991
methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate
CID 81460877
methyl 4-[[2-[3-(hydroxymethyl)piperidin-1-yl]acetyl]amino]butanoate
CID 60672200
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 81451615
methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate
CID 62358151
ethyl 4-[[2-[3-(1-aminoethyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 103976239
2-[3-ethyl-4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 114507484
2-(4-amino-3-ethylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 81460476
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276
2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 81451805

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate?
The IUPAC name of methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate (CID 81460156) is methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate?
The canonical SMILES for methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate is CCC1CN(CC(=O)NCCCC(=O)OC)CCC1N.
What is the InChIKey of methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate?
The InChIKey is OFWVBSCICBZYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-11-9-17(8-6-12(11)15)10-13(18)16-7-4-5-14(19)20-2/h11-12H,3-10,15H2,1-2H3,(H,16,18).
What are the key properties of methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate?
methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate has a molecular weight of 285.39 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate is sourced from PubChem (CID 81460156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).