1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one

C17H29N3O — CID 82899732

IUPAC1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
SMILESCC(C)CC1CNC(C)(C)CN1CCn1ccccc1=O
InChIInChI=1S/C17H29N3O/c1-14(2)11-15-12-18-17(3,4)13-20(15)10-9-19-8-6-5-7-16(19)21/h5-8,14-15,18H,9-13H2,1-4H3
InChIKeyMKNXGROYTIVCKZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.95
Rot. Bonds5

About 1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one

1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one (PubChem CID 82899732) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
PubChem CID82899732
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
SMILESCC(C)CC1CNC(C)(C)CN1CCn1ccccc1=O
InChIInChI=1S/C17H29N3O/c1-14(2)11-15-12-18-17(3,4)13-20(15)10-9-19-8-6-5-7-16(19)21/h5-8,14-15,18H,9-13H2,1-4H3
InChIKeyMKNXGROYTIVCKZ-UHFFFAOYSA-N
XLogP1.95
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one (CID 82899732) is 1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one is CC(C)CC1CNC(C)(C)CN1CCn1ccccc1=O.
What is the InChIKey of 1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one?
The InChIKey is MKNXGROYTIVCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(2)11-15-12-18-17(3,4)13-20(15)10-9-19-8-6-5-7-16(19)21/h5-8,14-15,18H,9-13H2,1-4H3.
What are the key properties of 1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one?
1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one has a molecular weight of 291.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82899732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).