1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

C16H28N2O3 — CID 53150902

IUPAC1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOCCC1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-13(19)17-10-5-15(6-11-17)16(20)18-8-3-14(4-9-18)7-12-21-2/h14-15H,3-12H2,1-2H3
InChIKeyMAPDCUGLGVDSJR-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.52
Rot. Bonds4

About 1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 53150902) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID53150902
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOCCC1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-13(19)17-10-5-15(6-11-17)16(20)18-8-3-14(4-9-18)7-12-21-2/h14-15H,3-12H2,1-2H3
InChIKeyMAPDCUGLGVDSJR-UHFFFAOYSA-N
XLogP1.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 53150902) is 1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is COCCC1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is MAPDCUGLGVDSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(19)17-10-5-15(6-11-17)16(20)18-8-3-14(4-9-18)7-12-21-2/h14-15H,3-12H2,1-2H3.
What are the key properties of 1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 296.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methoxyethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53150902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).