methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate

C12H23N3O4 — CID 112543593

IUPACmethyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NC(=O)OC)CN(CCN)C1
InChIInChI=1S/C12H23N3O4/c1-18-11(16)6-9-5-10(14-12(17)19-2)8-15(7-9)4-3-13/h9-10H,3-8,13H2,1-2H3,(H,14,17)
InChIKeyJUQJHEONRGDQAX-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.45
Rot. Bonds5

About methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate

methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate (PubChem CID 112543593) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate
PubChem CID112543593
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Namemethyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NC(=O)OC)CN(CCN)C1
InChIInChI=1S/C12H23N3O4/c1-18-11(16)6-9-5-10(14-12(17)19-2)8-15(7-9)4-3-13/h9-10H,3-8,13H2,1-2H3,(H,14,17)
InChIKeyJUQJHEONRGDQAX-UHFFFAOYSA-N
XLogP-0.45
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
methyl N-[1-(2-aminoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543587
methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543603
methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate
CID 83996184
methyl 2-[1-(cyanomethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate
CID 112543529
1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543589
2-[1-(2-amino-2-oxoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetic acid
CID 112543553
methyl 2-[1-(cyanomethyl)-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544170
methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate
CID 112543484
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112543814
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate (CID 112543593) is methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate is COC(=O)CC1CC(NC(=O)OC)CN(CCN)C1.
What is the InChIKey of methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate?
The InChIKey is JUQJHEONRGDQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-18-11(16)6-9-5-10(14-12(17)19-2)8-15(7-9)4-3-13/h9-10H,3-8,13H2,1-2H3,(H,14,17).
What are the key properties of methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate?
methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate has a molecular weight of 273.33 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 112543593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).