5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one

C15H24N2O3 — CID 63241524

IUPAC5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one
SMILESCC(C)NCC1CCCN(Cc2cc(=O)c(O)co2)C1
InChIInChI=1S/C15H24N2O3/c1-11(2)16-7-12-4-3-5-17(8-12)9-13-6-14(18)15(19)10-20-13/h6,10-12,16,19H,3-5,7-9H2,1-2H3
InChIKeyVGNKVUJOKSAAQW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.56
Rot. Bonds5

About 5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one

5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one (PubChem CID 63241524) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one
PubChem CID63241524
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one
SMILESCC(C)NCC1CCCN(Cc2cc(=O)c(O)co2)C1
InChIInChI=1S/C15H24N2O3/c1-11(2)16-7-12-4-3-5-17(8-12)9-13-6-14(18)15(19)10-20-13/h6,10-12,16,19H,3-5,7-9H2,1-2H3
InChIKeyVGNKVUJOKSAAQW-UHFFFAOYSA-N
XLogP1.56
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Methoxy-4-oxopyran-2-yl)methylamino]piperidine-1-carboxylic acid
CID 87452935
(5-Methoxy-4-oxopyran-2-yl)methyl-piperidin-4-ylcarbamic acid
CID 91557481
2-[(4-Aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one
CID 43556537
5-Hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one
CID 43607675
5-Hydroxy-2-[(3-piperidin-1-ylpropylamino)methyl]pyran-4-one
CID 49788915
2-[[Ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one
CID 54923446
5-Hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one
CID 54923689
5-Hydroxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one
CID 55086059
5-Hydroxy-2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]pyran-4-one
CID 55169048
2-[[Ethyl(piperidin-3-yl)amino]methyl]-5-hydroxypyran-4-one
CID 55246263
5-hydroxy-N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-3-yl}methyl)-4-oxo-4H-pyran-2-carboxamide
CID 56711835
1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-propylpiperidine-3-carboxamide
CID 60316030

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one (CID 63241524) is 5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one is CC(C)NCC1CCCN(Cc2cc(=O)c(O)co2)C1.
What is the InChIKey of 5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one?
The InChIKey is VGNKVUJOKSAAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)16-7-12-4-3-5-17(8-12)9-13-6-14(18)15(19)10-20-13/h6,10-12,16,19H,3-5,7-9H2,1-2H3.
What are the key properties of 5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one?
5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one has a molecular weight of 280.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 63241524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).