1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone

C12H23NO4 — CID 113226406

IUPAC1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
SMILESCCOC1CCN(C(=O)COCCOC)CC1
InChIInChI=1S/C12H23NO4/c1-3-17-11-4-6-13(7-5-11)12(14)10-16-9-8-15-2/h11H,3-10H2,1-2H3
InChIKeyMFULTSNIPCSZDU-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.68
Rot. Bonds7

About 1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone

1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone (PubChem CID 113226406) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
PubChem CID113226406
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
SMILESCCOC1CCN(C(=O)COCCOC)CC1
InChIInChI=1S/C12H23NO4/c1-3-17-11-4-6-13(7-5-11)12(14)10-16-9-8-15-2/h11H,3-10H2,1-2H3
InChIKeyMFULTSNIPCSZDU-UHFFFAOYSA-N
XLogP0.68
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63875309
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 103805372
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60775999
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122
2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70748201
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61216682

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone (CID 113226406) is 1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone is CCOC1CCN(C(=O)COCCOC)CC1.
What is the InChIKey of 1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone?
The InChIKey is MFULTSNIPCSZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-17-11-4-6-13(7-5-11)12(14)10-16-9-8-15-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone?
1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone has a molecular weight of 245.32 g/mol, XLogP of 0.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 113226406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).