1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one

C15H25N3O2 — CID 78925016

IUPAC1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
SMILESCC(C)(O)CN1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C15H25N3O2/c1-15(2,20)13-17-9-7-16(8-10-17)11-12-18-6-4-3-5-14(18)19/h3-6,20H,7-13H2,1-2H3
InChIKeyRWFVTYVZOIRKCW-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.24
Rot. Bonds5

About 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one

1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one (PubChem CID 78925016) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
PubChem CID78925016
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
SMILESCC(C)(O)CN1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C15H25N3O2/c1-15(2,20)13-17-9-7-16(8-10-17)11-12-18-6-4-3-5-14(18)19/h3-6,20H,7-13H2,1-2H3
InChIKeyRWFVTYVZOIRKCW-UHFFFAOYSA-N
XLogP0.24
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one (CID 78925016) is 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one is CC(C)(O)CN1CCN(CCn2ccccc2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one?
The InChIKey is RWFVTYVZOIRKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,20)13-17-9-7-16(8-10-17)11-12-18-6-4-3-5-14(18)19/h3-6,20H,7-13H2,1-2H3.
What are the key properties of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one?
1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one has a molecular weight of 279.38 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 78925016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).