3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one

C17H26N2O3 — CID 71591066

IUPAC3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCC(N3CCCCC3)CC2)o1
InChIInChI=1S/C17H26N2O3/c1-13-11-15(20)17(21)16(22-13)12-18-9-5-14(6-10-18)19-7-3-2-4-8-19/h11,14,21H,2-10,12H2,1H3
InChIKeyFUGIZQWPCXJRNW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.10
Rot. Bonds3

About 3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one

3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one (PubChem CID 71591066) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one
PubChem CID71591066
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCC(N3CCCCC3)CC2)o1
InChIInChI=1S/C17H26N2O3/c1-13-11-15(20)17(21)16(22-13)12-18-9-5-14(6-10-18)19-7-3-2-4-8-19/h11,14,21H,2-10,12H2,1H3
InChIKeyFUGIZQWPCXJRNW-UHFFFAOYSA-N
XLogP2.10
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one (CID 71591066) is 3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one is Cc1cc(=O)c(O)c(CN2CCC(N3CCCCC3)CC2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one?
The InChIKey is FUGIZQWPCXJRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-11-15(20)17(21)16(22-13)12-18-9-5-14(6-10-18)19-7-3-2-4-8-19/h11,14,21H,2-10,12H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one?
3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one has a molecular weight of 306.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyran-4-one is sourced from PubChem (CID 71591066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).