1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione

C14H26N2O2 — CID 59677773

IUPAC1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione
SMILESCC(C)N[C@H](CN1C(=O)CCCC1=O)C(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-10(2)15-11(14(3,4)5)9-16-12(17)7-6-8-13(16)18/h10-11,15H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyWMDVZSDKAOGGNX-LLVKDONJSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds4

About 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione

1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione (PubChem CID 59677773) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione
PubChem CID59677773
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione
SMILESCC(C)N[C@H](CN1C(=O)CCCC1=O)C(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-10(2)15-11(14(3,4)5)9-16-12(17)7-6-8-13(16)18/h10-11,15H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyWMDVZSDKAOGGNX-LLVKDONJSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione?
The IUPAC name of 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione (CID 59677773) is 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione is CC(C)N[C@H](CN1C(=O)CCCC1=O)C(C)(C)C.
What is the InChIKey of 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione?
The InChIKey is WMDVZSDKAOGGNX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)15-11(14(3,4)5)9-16-12(17)7-6-8-13(16)18/h10-11,15H,6-9H2,1-5H3/t11-/m1/s1.
What are the key properties of 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione?
1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione is sourced from PubChem (CID 59677773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).