ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate

C11H21NO3 — CID 143593823

IUPACethane;methyl 3-(4-oxopiperidin-1-yl)propanoate
SMILESCC.COC(=O)CCN1CCC(=O)CC1
InChIInChI=1S/C9H15NO3.C2H6/c1-13-9(12)4-7-10-5-2-8(11)3-6-10;1-2/h2-7H2,1H3;1-2H3
InChIKeyORRIKSKLYNAKFY-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.24
Rot. Bonds3

About ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate

ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate (PubChem CID 143593823) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethane;methyl 3-(4-oxopiperidin-1-yl)propanoate
PubChem CID143593823
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethane;methyl 3-(4-oxopiperidin-1-yl)propanoate
SMILESCC.COC(=O)CCN1CCC(=O)CC1
InChIInChI=1S/C9H15NO3.C2H6/c1-13-9(12)4-7-10-5-2-8(11)3-6-10;1-2/h2-7H2,1H3;1-2H3
InChIKeyORRIKSKLYNAKFY-UHFFFAOYSA-N
XLogP1.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperidinepropanoic acid, ethyl ester
CID 88183
MP-4P C-11
CID 6540307
Methyl 3-piperidin-1-ylpropanoate
CID 566577
1-(3-Methoxypropyl)-4-piperidinone
CID 18002008
1-Piperidinepropanoic acid, alpha-methyl-, methyl ester, hydrochloride (1:1)
CID 3084430
Ethyl 3-(4-oxopiperidin-1-yl)propanoate
CID 11984242
N-methylpiperidin-4-yl propionate
CID 133349
1-Methylpiperidin-4-yl butanoate
CID 9815447
Methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
Methyl alpha-methyl-1-piperidinepropanoate
CID 107234
1-Piperidinepropionic acid, 2-methyl-, methyl ester, hydrochloride
CID 20833836
Methyl 3-(methyl(pentyl)amino)propanoate
CID 16726422

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate?
The IUPAC name of ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate (CID 143593823) is ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate.
What is the SMILES notation for ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate?
The canonical SMILES for ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate is CC.COC(=O)CCN1CCC(=O)CC1.
What is the InChIKey of ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate?
The InChIKey is ORRIKSKLYNAKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.C2H6/c1-13-9(12)4-7-10-5-2-8(11)3-6-10;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate?
ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate has a molecular weight of 215.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate is sourced from PubChem (CID 143593823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).