methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate

C14H26N2O3 — CID 83994370

IUPACmethyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NCC(C)C)CN(C(C)=O)C1
InChIInChI=1S/C14H26N2O3/c1-10(2)7-15-13-5-12(6-14(18)19-4)8-16(9-13)11(3)17/h10,12-13,15H,5-9H2,1-4H3
InChIKeyGECGBGMYIIBLQJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.03
Rot. Bonds5

About methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate

methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate (PubChem CID 83994370) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
PubChem CID83994370
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NCC(C)C)CN(C(C)=O)C1
InChIInChI=1S/C14H26N2O3/c1-10(2)7-15-13-5-12(6-14(18)19-4)8-16(9-13)11(3)17/h10,12-13,15H,5-9H2,1-4H3
InChIKeyGECGBGMYIIBLQJ-UHFFFAOYSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate
CID 83989738
methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994184
methyl 3-[1-acetyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995757
methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
CID 83990367
methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate
CID 83993158
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
methyl 3-[1-acetyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propanoate
CID 83992296
methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83992984
methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate
CID 83998544
methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate
CID 83996184
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
2-[1-acetyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992292

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate (CID 83994370) is methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate is COC(=O)CC1CC(NCC(C)C)CN(C(C)=O)C1.
What is the InChIKey of methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate?
The InChIKey is GECGBGMYIIBLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)7-15-13-5-12(6-14(18)19-4)8-16(9-13)11(3)17/h10,12-13,15H,5-9H2,1-4H3.
What are the key properties of methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate?
methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate has a molecular weight of 270.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83994370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).