2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate

C16H30N2O3 — CID 70066827

IUPAC2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate
SMILESCC1CC(CC(=O)OC(C)(C)C)CCN1C.NC1CC1=O
InChIInChI=1S/C13H25NO2.C3H5NO/c1-10-8-11(6-7-14(10)5)9-12(15)16-13(2,3)4;4-2-1-3(2)5/h10-11H,6-9H2,1-5H3;2H,1,4H2
InChIKeyYPRKPASCYILVNI-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.74
Rot. Bonds2

About 2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate

2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate (PubChem CID 70066827) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate.

Molecular Properties

Compound Name2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate
PubChem CID70066827
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate
SMILESCC1CC(CC(=O)OC(C)(C)C)CCN1C.NC1CC1=O
InChIInChI=1S/C13H25NO2.C3H5NO/c1-10-8-11(6-7-14(10)5)9-12(15)16-13(2,3)4;4-2-1-3(2)5/h10-11H,6-9H2,1-5H3;2H,1,4H2
InChIKeyYPRKPASCYILVNI-UHFFFAOYSA-N
XLogP1.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-dimethylpiperidin-4-yl)acetic acid
CID 57247526
tert-butyl 4-(2-ethoxy-2-oxoethyl)-2-methylpiperidine-1-carboxylate
CID 119029033
potassium 2-(1,2-dimethylpiperidin-4-yl)acetate
CID 161456905
tert-butyl (2S,4S)-1,2-dimethylpiperidine-4-carboxylate;propane
CID 177325275
4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid
CID 175561216
tert-butyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate
CID 160524581
tert-butyl 2-(3-methyl-2,4-dioxocyclohexyl)acetate
CID 23253643
tert-butyl 2-[(1S)-3-oxocyclohexyl]acetate
CID 141145832
tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
CID 134905805
tert-butyl 2-(1-methyl-2,6-dioxopiperidin-3-yl)acetate
CID 58127117
tert-butyl 2-[4-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 58235996
tert-butyl 2-(4-hydroxycyclohexyl)acetate
CID 18919465

Frequently Asked Questions

What is the IUPAC name of 2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate?
The IUPAC name of 2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate (CID 70066827) is 2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate.
What is the SMILES notation for 2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate?
The canonical SMILES for 2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate is CC1CC(CC(=O)OC(C)(C)C)CCN1C.NC1CC1=O.
What is the InChIKey of 2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate?
The InChIKey is YPRKPASCYILVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.C3H5NO/c1-10-8-11(6-7-14(10)5)9-12(15)16-13(2,3)4;4-2-1-3(2)5/h10-11H,6-9H2,1-5H3;2H,1,4H2.
What are the key properties of 2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate?
2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate has a molecular weight of 298.43 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate is sourced from PubChem (CID 70066827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).