1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one

C15H30N2O2 — CID 106357929

IUPAC1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(C(CCO)C(C)(C)C)C1=O
InChIInChI=1S/C15H30N2O2/c1-5-9-16-12-7-6-10-17(14(12)19)13(8-11-18)15(2,3)4/h12-13,16,18H,5-11H2,1-4H3
InChIKeySLJYABBLUCOQNL-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.77
Rot. Bonds6

About 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one

1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one (PubChem CID 106357929) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one
PubChem CID106357929
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(C(CCO)C(C)(C)C)C1=O
InChIInChI=1S/C15H30N2O2/c1-5-9-16-12-7-6-10-17(14(12)19)13(8-11-18)15(2,3)4/h12-13,16,18H,5-11H2,1-4H3
InChIKeySLJYABBLUCOQNL-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one
CID 106357935
1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one
CID 79267296
3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one
CID 106357937
1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one
CID 114420361
1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one
CID 64641741
3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide
CID 106098556
1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one
CID 106187223
1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one
CID 114152228
1-(1-hydroxy-4-methylpentan-3-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 114178303
1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one
CID 115408790
3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 106353562
3-(ethylamino)-1-(4-hydroxy-2-methylbutyl)piperidin-2-one
CID 66108454

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one?
The IUPAC name of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one (CID 106357929) is 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one.
What is the SMILES notation for 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one?
The canonical SMILES for 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one is CCCNC1CCCN(C(CCO)C(C)(C)C)C1=O.
What is the InChIKey of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one?
The InChIKey is SLJYABBLUCOQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-9-16-12-7-6-10-17(14(12)19)13(8-11-18)15(2,3)4/h12-13,16,18H,5-11H2,1-4H3.
What are the key properties of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one?
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one has a molecular weight of 270.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one is sourced from PubChem (CID 106357929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).