2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone

C14H26N2O2 — CID 103161303

IUPAC2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
SMILESCCOC1CC(CC(=O)N2CCC(NC)CC2)C1
InChIInChI=1S/C14H26N2O2/c1-3-18-13-8-11(9-13)10-14(17)16-6-4-12(15-2)5-7-16/h11-13,15H,3-10H2,1-2H3
InChIKeySRMJFEUAMFRQPK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone

2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone (PubChem CID 103161303) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
PubChem CID103161303
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
SMILESCCOC1CC(CC(=O)N2CCC(NC)CC2)C1
InChIInChI=1S/C14H26N2O2/c1-3-18-13-8-11(9-13)10-14(17)16-6-4-12(15-2)5-7-16/h11-13,15H,3-10H2,1-2H3
InChIKeySRMJFEUAMFRQPK-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone (CID 103161303) is 2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone is CCOC1CC(CC(=O)N2CCC(NC)CC2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is SRMJFEUAMFRQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-18-13-8-11(9-13)10-14(17)16-6-4-12(15-2)5-7-16/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone?
2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-[4-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 103161303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).