(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one

C15H30N2O2 — CID 42301524

IUPAC(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
SMILESCC(C)CNC[C@@]1(O)CCCN(CC(C)(C)C)C1=O
InChIInChI=1S/C15H30N2O2/c1-12(2)9-16-10-15(19)7-6-8-17(13(15)18)11-14(3,4)5/h12,16,19H,6-11H2,1-5H3/t15-/m0/s1
InChIKeyPZOLWHWQNLWUJR-HNNXBMFYSA-N
MW270.42 g/mol
LogP1.63
Rot. Bonds5

About (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one

(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one (PubChem CID 42301524) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
PubChem CID42301524
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
SMILESCC(C)CNC[C@@]1(O)CCCN(CC(C)(C)C)C1=O
InChIInChI=1S/C15H30N2O2/c1-12(2)9-16-10-15(19)7-6-8-17(13(15)18)11-14(3,4)5/h12,16,19H,6-11H2,1-5H3/t15-/m0/s1
InChIKeyPZOLWHWQNLWUJR-HNNXBMFYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one?
The IUPAC name of (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one (CID 42301524) is (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one.
What is the SMILES notation for (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one?
The canonical SMILES for (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one is CC(C)CNC[C@@]1(O)CCCN(CC(C)(C)C)C1=O.
What is the InChIKey of (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one?
The InChIKey is PZOLWHWQNLWUJR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)9-16-10-15(19)7-6-8-17(13(15)18)11-14(3,4)5/h12,16,19H,6-11H2,1-5H3/t15-/m0/s1.
What are the key properties of (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one?
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one has a molecular weight of 270.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one is sourced from PubChem (CID 42301524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).