bis[1-(2-methoxyethyl)piperidin-3-yl]methanone

C17H32N2O3 — CID 90715651

IUPACbis[1-(2-methoxyethyl)piperidin-3-yl]methanone
SMILESCOCCN1CCCC(C(=O)C2CCCN(CCOC)C2)C1
InChIInChI=1S/C17H32N2O3/c1-21-11-9-18-7-3-5-15(13-18)17(20)16-6-4-8-19(14-16)10-12-22-2/h15-16H,3-14H2,1-2H3
InChIKeyNJWPDQWZVKPGLR-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.27
Rot. Bonds8

About bis[1-(2-methoxyethyl)piperidin-3-yl]methanone

bis[1-(2-methoxyethyl)piperidin-3-yl]methanone (PubChem CID 90715651) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is bis[1-(2-methoxyethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Namebis[1-(2-methoxyethyl)piperidin-3-yl]methanone
PubChem CID90715651
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Namebis[1-(2-methoxyethyl)piperidin-3-yl]methanone
SMILESCOCCN1CCCC(C(=O)C2CCCN(CCOC)C2)C1
InChIInChI=1S/C17H32N2O3/c1-21-11-9-18-7-3-5-15(13-18)17(20)16-6-4-8-19(14-16)10-12-22-2/h15-16H,3-14H2,1-2H3
InChIKeyNJWPDQWZVKPGLR-UHFFFAOYSA-N
XLogP1.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[1-(2-methoxyethyl)piperidin-3-yl]methanone?
The IUPAC name of bis[1-(2-methoxyethyl)piperidin-3-yl]methanone (CID 90715651) is bis[1-(2-methoxyethyl)piperidin-3-yl]methanone.
What is the SMILES notation for bis[1-(2-methoxyethyl)piperidin-3-yl]methanone?
The canonical SMILES for bis[1-(2-methoxyethyl)piperidin-3-yl]methanone is COCCN1CCCC(C(=O)C2CCCN(CCOC)C2)C1.
What is the InChIKey of bis[1-(2-methoxyethyl)piperidin-3-yl]methanone?
The InChIKey is NJWPDQWZVKPGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-21-11-9-18-7-3-5-15(13-18)17(20)16-6-4-8-19(14-16)10-12-22-2/h15-16H,3-14H2,1-2H3.
What are the key properties of bis[1-(2-methoxyethyl)piperidin-3-yl]methanone?
bis[1-(2-methoxyethyl)piperidin-3-yl]methanone has a molecular weight of 312.45 g/mol, XLogP of 1.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(2-methoxyethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 90715651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).