1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one

C19H36N2O2 — CID 129276818

IUPAC1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one
SMILESCCOCCN1CCCC(CC(=O)CCCN2CCCCC2)C1
InChIInChI=1S/C19H36N2O2/c1-2-23-15-14-21-13-6-8-18(17-21)16-19(22)9-7-12-20-10-4-3-5-11-20/h18H,2-17H2,1H3
InChIKeyHMKDCXACPVIJAN-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.96
Rot. Bonds10

About 1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one

1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one (PubChem CID 129276818) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one
PubChem CID129276818
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one
SMILESCCOCCN1CCCC(CC(=O)CCCN2CCCCC2)C1
InChIInChI=1S/C19H36N2O2/c1-2-23-15-14-21-13-6-8-18(17-21)16-19(22)9-7-12-20-10-4-3-5-11-20/h18H,2-17H2,1H3
InChIKeyHMKDCXACPVIJAN-UHFFFAOYSA-N
XLogP2.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one?
The IUPAC name of 1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one (CID 129276818) is 1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one?
The canonical SMILES for 1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one is CCOCCN1CCCC(CC(=O)CCCN2CCCCC2)C1.
What is the InChIKey of 1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one?
The InChIKey is HMKDCXACPVIJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-2-23-15-14-21-13-6-8-18(17-21)16-19(22)9-7-12-20-10-4-3-5-11-20/h18H,2-17H2,1H3.
What are the key properties of 1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one?
1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one has a molecular weight of 324.51 g/mol, XLogP of 2.96, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one is sourced from PubChem (CID 129276818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).