methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate

C14H25NO3 — CID 79624007

IUPACmethyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate
SMILESCOC(=O)C(C)(C)CN1CCCCC1CC(C)=O
InChIInChI=1S/C14H25NO3/c1-11(16)9-12-7-5-6-8-15(12)10-14(2,3)13(17)18-4/h12H,5-10H2,1-4H3
InChIKeyPUNUHTZJRGRLIL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.02
Rot. Bonds5

About methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate

methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate (PubChem CID 79624007) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate
PubChem CID79624007
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate
SMILESCOC(=O)C(C)(C)CN1CCCCC1CC(C)=O
InChIInChI=1S/C14H25NO3/c1-11(16)9-12-7-5-6-8-15(12)10-14(2,3)13(17)18-4/h12H,5-10H2,1-4H3
InChIKeyPUNUHTZJRGRLIL-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropanoate
CID 79624536
1-[1-(2-hydroxy-2-methylpropyl)azepan-2-yl]propan-2-one
CID 79560522
methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79624509
methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79621228
methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate
CID 79538399
methyl 2,2-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)propanoate
CID 79621399
methyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,2-dimethylpropanoate
CID 79620591
methyl 2,2-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoate
CID 79938716
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849
1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one
CID 103409848
1-[1-[2-(2-methoxyethoxy)ethyl]azepan-2-yl]propan-2-one
CID 79560356

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate (CID 79624007) is methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate is COC(=O)C(C)(C)CN1CCCCC1CC(C)=O.
What is the InChIKey of methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate?
The InChIKey is PUNUHTZJRGRLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(16)9-12-7-5-6-8-15(12)10-14(2,3)13(17)18-4/h12H,5-10H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate?
methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate has a molecular weight of 255.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 79624007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).