1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone

C13H24N2O2 — CID 103161302

IUPAC1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CCC(N)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-17-12-7-10(8-12)9-13(16)15-5-3-11(14)4-6-15/h10-12H,2-9,14H2,1H3
InChIKeyBMOKDTDFKAQHCF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone

1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103161302) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103161302
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CCC(N)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-17-12-7-10(8-12)9-13(16)15-5-3-11(14)4-6-15/h10-12H,2-9,14H2,1H3
InChIKeyBMOKDTDFKAQHCF-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone (CID 103161302) is 1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)N2CCC(N)CC2)C1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is BMOKDTDFKAQHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-17-12-7-10(8-12)9-13(16)15-5-3-11(14)4-6-15/h10-12H,2-9,14H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103161302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).