1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one

C17H27N3O2 — CID 82218423

IUPAC1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one
SMILESCCN1CCN(Cc2cc(=O)c(O)cn2C2CCCC2)CC1
InChIInChI=1S/C17H27N3O2/c1-2-18-7-9-19(10-8-18)12-15-11-16(21)17(22)13-20(15)14-5-3-4-6-14/h11,13-14,22H,2-10,12H2,1H3
InChIKeyMWYOWUPZSVPWPS-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.81
Rot. Bonds4

About 1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one

1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one (PubChem CID 82218423) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one
PubChem CID82218423
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one
SMILESCCN1CCN(Cc2cc(=O)c(O)cn2C2CCCC2)CC1
InChIInChI=1S/C17H27N3O2/c1-2-18-7-9-19(10-8-18)12-15-11-16(21)17(22)13-20(15)14-5-3-4-6-14/h11,13-14,22H,2-10,12H2,1H3
InChIKeyMWYOWUPZSVPWPS-UHFFFAOYSA-N
XLogP1.81
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one?
The IUPAC name of 1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one (CID 82218423) is 1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one.
What is the SMILES notation for 1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one?
The canonical SMILES for 1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one is CCN1CCN(Cc2cc(=O)c(O)cn2C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one?
The InChIKey is MWYOWUPZSVPWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-18-7-9-19(10-8-18)12-15-11-16(21)17(22)13-20(15)14-5-3-4-6-14/h11,13-14,22H,2-10,12H2,1H3.
What are the key properties of 1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one?
1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one has a molecular weight of 305.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one is sourced from PubChem (CID 82218423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).