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

C14H21N3O — CID 134595424

IUPAC1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one
SMILESCN1CCN(c2ccc(C(C)(C)C)nc2)C(=O)C1
InChIInChI=1S/C14H21N3O/c1-14(2,3)12-6-5-11(9-15-12)17-8-7-16(4)10-13(17)18/h5-6,9H,7-8,10H2,1-4H3
InChIKeyFWOVHWYPVLZTMJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.66
Rot. Bonds1

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

1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one (PubChem CID 134595424) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one
PubChem CID134595424
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one
SMILESCN1CCN(c2ccc(C(C)(C)C)nc2)C(=O)C1
InChIInChI=1S/C14H21N3O/c1-14(2,3)12-6-5-11(9-15-12)17-8-7-16(4)10-13(17)18/h5-6,9H,7-8,10H2,1-4H3
InChIKeyFWOVHWYPVLZTMJ-UHFFFAOYSA-N
XLogP1.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde
CID 134595464
1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one
CID 134595637
4-(6-tert-butyl-3-pyridinyl)-1-(2-methylpropyl)-1,4-diazepan-5-one
CID 134595619
2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 134595640
4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one
CID 69235142
2,2-dimethyl-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanoic acid
CID 117469217
1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one
CID 69401490
4-(2,2-dimethylpropyl)-1-(6-iodo-3-pyridinyl)piperazin-2-one
CID 134601378
1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one
CID 117436386
4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one
CID 68522866
1-(3-bromo-4-nitrophenyl)-4-methylpiperazin-2-one
CID 155269752
1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one
CID 117431151

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one?
The IUPAC name of 1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one (CID 134595424) is 1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one.
What is the SMILES notation for 1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one?
The canonical SMILES for 1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one is CN1CCN(c2ccc(C(C)(C)C)nc2)C(=O)C1.
What is the InChIKey of 1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one?
The InChIKey is FWOVHWYPVLZTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)12-6-5-11(9-15-12)17-8-7-16(4)10-13(17)18/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one?
1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one is sourced from PubChem (CID 134595424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).