1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one

C16H25N3O2 — CID 134595637

IUPAC1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one
SMILESCC(O)CN1CCN(c2ccc(C(C)(C)C)nc2)C(=O)C1
InChIInChI=1S/C16H25N3O2/c1-12(20)10-18-7-8-19(15(21)11-18)13-5-6-14(17-9-13)16(2,3)4/h5-6,9,12,20H,7-8,10-11H2,1-4H3
InChIKeyIOYBEHRFIWWQMZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.41
Rot. Bonds3

About 1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one

1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one (PubChem CID 134595637) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one.

Molecular Properties

Compound Name1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one
PubChem CID134595637
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one
SMILESCC(O)CN1CCN(c2ccc(C(C)(C)C)nc2)C(=O)C1
InChIInChI=1S/C16H25N3O2/c1-12(20)10-18-7-8-19(15(21)11-18)13-5-6-14(17-9-13)16(2,3)4/h5-6,9,12,20H,7-8,10-11H2,1-4H3
InChIKeyIOYBEHRFIWWQMZ-UHFFFAOYSA-N
XLogP1.41
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-tert-butyl-3-pyridinyl)-1-(2-methylpropyl)-1,4-diazepan-5-one
CID 134595619
1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one
CID 134595424
4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde
CID 134595464
4-(2,2-dimethylpropyl)-1-(6-iodo-3-pyridinyl)piperazin-2-one
CID 134601378
2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 134595640
1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one
CID 69235175
(3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol
CID 171604045
4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 167859840
4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70737370
4-[(2R)-2-hydroxypropyl]piperazin-2-one
CID 92979224
(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
CID 136583777
(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 133486332

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one?
The IUPAC name of 1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one (CID 134595637) is 1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one.
What is the SMILES notation for 1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one?
The canonical SMILES for 1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one is CC(O)CN1CCN(c2ccc(C(C)(C)C)nc2)C(=O)C1.
What is the InChIKey of 1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one?
The InChIKey is IOYBEHRFIWWQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(20)10-18-7-8-19(15(21)11-18)13-5-6-14(17-9-13)16(2,3)4/h5-6,9,12,20H,7-8,10-11H2,1-4H3.
What are the key properties of 1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one?
1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one has a molecular weight of 291.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one is sourced from PubChem (CID 134595637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).