methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate

C13H25N3O3 — CID 83991353

IUPACmethyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate
SMILESCCCNC1CC(CC(=O)OC)CN(CC(N)=O)C1
InChIInChI=1S/C13H25N3O3/c1-3-4-15-11-5-10(6-13(18)19-2)7-16(8-11)9-12(14)17/h10-11,15H,3-9H2,1-2H3,(H2,14,17)
InChIKeyOQZHXEVRDZWVAG-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.28
Rot. Bonds7

About methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate

methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate (PubChem CID 83991353) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate
PubChem CID83991353
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Namemethyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate
SMILESCCCNC1CC(CC(=O)OC)CN(CC(N)=O)C1
InChIInChI=1S/C13H25N3O3/c1-3-4-15-11-5-10(6-13(18)19-2)7-16(8-11)9-12(14)17/h10-11,15H,3-9H2,1-2H3,(H2,14,17)
InChIKeyOQZHXEVRDZWVAG-UHFFFAOYSA-N
XLogP-0.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
CID 83991990
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate
CID 83999600
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
2-[1-(2-amino-2-oxoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetic acid
CID 112543553
methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate
CID 83996184
2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83990081
methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994184
methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate
CID 83990573
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950
methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020
methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate
CID 83994946
2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide
CID 83993367

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate (CID 83991353) is methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate is CCCNC1CC(CC(=O)OC)CN(CC(N)=O)C1.
What is the InChIKey of methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate?
The InChIKey is OQZHXEVRDZWVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-4-15-11-5-10(6-13(18)19-2)7-16(8-11)9-12(14)17/h10-11,15H,3-9H2,1-2H3,(H2,14,17).
What are the key properties of methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate?
methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate has a molecular weight of 271.36 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83991353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).