methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate

C12H21NO4 — CID 143455323

IUPACmethyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate
SMILESCCC(=O)N1CCC(OCCC(=O)OC)CC1
InChIInChI=1S/C12H21NO4/c1-3-11(14)13-7-4-10(5-8-13)17-9-6-12(15)16-2/h10H,3-9H2,1-2H3
InChIKeyABSSUNMMNUQBGT-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds5

About methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate

methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate (PubChem CID 143455323) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate
PubChem CID143455323
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate
SMILESCCC(=O)N1CCC(OCCC(=O)OC)CC1
InChIInChI=1S/C12H21NO4/c1-3-11(14)13-7-4-10(5-8-13)17-9-6-12(15)16-2/h10H,3-9H2,1-2H3
InChIKeyABSSUNMMNUQBGT-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butoxypiperidin-1-yl)propan-1-one
CID 156794583
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60775999
1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one
CID 164557491
methyl 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
CID 162750408
3-[1-[2-(ethylamino)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63876082
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 63876085
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63875309
3-[1-(3-methylsulfonylpropanoyl)piperidin-4-yl]oxypropanoic acid
CID 63876697
ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate
CID 60776132

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate?
The IUPAC name of methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate (CID 143455323) is methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate.
What is the SMILES notation for methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate?
The canonical SMILES for methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate is CCC(=O)N1CCC(OCCC(=O)OC)CC1.
What is the InChIKey of methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate?
The InChIKey is ABSSUNMMNUQBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-11(14)13-7-4-10(5-8-13)17-9-6-12(15)16-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate?
methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate is sourced from PubChem (CID 143455323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).