(5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one

C15H28N2O2 — CID 136582015

IUPAC(5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one
SMILESCCOC1CC(N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-5-19-11-8-10(9-11)16-12-6-7-13(18)17-14(12)15(2,3)4/h10-12,14,16H,5-9H2,1-4H3,(H,17,18)/t10?,11?,12-,14-/m1/s1
InChIKeyUERFXNZMJOMBMZ-UAKHECDHSA-N
MW268.40 g/mol
LogP1.84
Rot. Bonds4

About (5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one

(5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one (PubChem CID 136582015) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one
PubChem CID136582015
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one
SMILESCCOC1CC(N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-5-19-11-8-10(9-11)16-12-6-7-13(18)17-14(12)15(2,3)4/h10-12,14,16H,5-9H2,1-4H3,(H,17,18)/t10?,11?,12-,14-/m1/s1
InChIKeyUERFXNZMJOMBMZ-UAKHECDHSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one?
The IUPAC name of (5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one (CID 136582015) is (5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one.
What is the SMILES notation for (5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one?
The canonical SMILES for (5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one is CCOC1CC(N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1.
What is the InChIKey of (5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one?
The InChIKey is UERFXNZMJOMBMZ-UAKHECDHSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-19-11-8-10(9-11)16-12-6-7-13(18)17-14(12)15(2,3)4/h10-12,14,16H,5-9H2,1-4H3,(H,17,18)/t10?,11?,12-,14-/m1/s1.
What are the key properties of (5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one?
(5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one is sourced from PubChem (CID 136582015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).