5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one

C15H22N2O3 — CID 60978556

IUPAC5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one
SMILESO=c1cc(CN2CCCC(C3CCCN3)C2)occ1O
InChIInChI=1S/C15H22N2O3/c18-14-7-12(20-10-15(14)19)9-17-6-2-3-11(8-17)13-4-1-5-16-13/h7,10-11,13,16,19H,1-6,8-9H2
InChIKeyUOLOGYQZUNYUEO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.31
Rot. Bonds3

About 5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one

5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one (PubChem CID 60978556) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one
PubChem CID60978556
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one
SMILESO=c1cc(CN2CCCC(C3CCCN3)C2)occ1O
InChIInChI=1S/C15H22N2O3/c18-14-7-12(20-10-15(14)19)9-17-6-2-3-11(8-17)13-4-1-5-16-13/h7,10-11,13,16,19H,1-6,8-9H2
InChIKeyUOLOGYQZUNYUEO-UHFFFAOYSA-N
XLogP1.31
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-(methylaminomethyl)piperidin-1-yl]methyl]pyran-4-one
CID 61205171
2-[[8-Azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-5-hydroxypyran-4-one
CID 61230966
2-[[8-Azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one
CID 61231667
2-[[8-Azabicyclo[3.2.1]octan-3-yl(propyl)amino]methyl]-5-hydroxypyran-4-one
CID 61232121
2-[(3-Amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-5-hydroxypyran-4-one
CID 61233910
2-[[4-(Aminomethyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one
CID 61787331
2-[[3-(Aminomethyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one
CID 61800507
5-Hydroxy-2-[[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]pyran-4-one
CID 63241524

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one (CID 60978556) is 5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one is O=c1cc(CN2CCCC(C3CCCN3)C2)occ1O.
What is the InChIKey of 5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one?
The InChIKey is UOLOGYQZUNYUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14-7-12(20-10-15(14)19)9-17-6-2-3-11(8-17)13-4-1-5-16-13/h7,10-11,13,16,19H,1-6,8-9H2.
What are the key properties of 5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one?
5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one has a molecular weight of 278.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one is sourced from PubChem (CID 60978556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).