2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone

C20H38N2O2 — CID 176984953

IUPAC2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCN(C(=O)COCCC2CCN(C(C)CC)CC2)CC1
InChIInChI=1S/C20H38N2O2/c1-4-17(3)21-11-8-19(9-12-21)10-15-24-16-20(23)22-13-6-18(5-2)7-14-22/h17-19H,4-16H2,1-3H3
InChIKeySMFPCVCBEQQAIY-UHFFFAOYSA-N
MW338.54 g/mol
LogP3.55
Rot. Bonds8

About 2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone

2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone (PubChem CID 176984953) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone
PubChem CID176984953
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCN(C(=O)COCCC2CCN(C(C)CC)CC2)CC1
InChIInChI=1S/C20H38N2O2/c1-4-17(3)21-11-8-19(9-12-21)10-15-24-16-20(23)22-13-6-18(5-2)7-14-22/h17-19H,4-16H2,1-3H3
InChIKeySMFPCVCBEQQAIY-UHFFFAOYSA-N
XLogP3.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone
CID 176985365
(4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone
CID 176984609
1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone
CID 177123002
1-(3-ethylpyrrolidin-1-yl)-2-propoxyethanone
CID 103747275
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
2-[1-(2-propoxyacetyl)piperidin-4-yl]acetic acid
CID 103790225
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 103805372
1-(4-butan-2-ylpiperazin-1-yl)-4-(4-methoxycyclohexyl)butan-1-one
CID 175629703
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006
(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone
CID 167480439
2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone
CID 167478681

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone (CID 176984953) is 2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone is CCC1CCN(C(=O)COCCC2CCN(C(C)CC)CC2)CC1.
What is the InChIKey of 2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone?
The InChIKey is SMFPCVCBEQQAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-4-17(3)21-11-8-19(9-12-21)10-15-24-16-20(23)22-13-6-18(5-2)7-14-22/h17-19H,4-16H2,1-3H3.
What are the key properties of 2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone?
2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone has a molecular weight of 338.54 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 176984953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).