(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one

C18H32N2O2 — CID 42363388

IUPAC(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one
SMILESO=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCCCCCC1
InChIInChI=1S/C18H32N2O2/c21-17-18(22,15-19-11-4-2-1-3-5-12-19)10-7-13-20(17)14-16-8-6-9-16/h16,22H,1-15H2/t18-/m1/s1
InChIKeyLCWNFLGQFHPZJZ-GOSISDBHSA-N
MW308.47 g/mol
LogP2.41
Rot. Bonds4

About (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one

(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one (PubChem CID 42363388) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one
PubChem CID42363388
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one
SMILESO=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCCCCCC1
InChIInChI=1S/C18H32N2O2/c21-17-18(22,15-19-11-4-2-1-3-5-12-19)10-7-13-20(17)14-16-8-6-9-16/h16,22H,1-15H2/t18-/m1/s1
InChIKeyLCWNFLGQFHPZJZ-GOSISDBHSA-N
XLogP2.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one?
The IUPAC name of (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one (CID 42363388) is (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one is O=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCCCCCC1.
What is the InChIKey of (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one?
The InChIKey is LCWNFLGQFHPZJZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H32N2O2/c21-17-18(22,15-19-11-4-2-1-3-5-12-19)10-7-13-20(17)14-16-8-6-9-16/h16,22H,1-15H2/t18-/m1/s1.
What are the key properties of (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one?
(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one has a molecular weight of 308.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 42363388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).