4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one

C16H25N3O — CID 176702548

IUPAC4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one
SMILESCCN1CCN(Cc2ccc(C(C)(C)C)cn2)CC1=O
InChIInChI=1S/C16H25N3O/c1-5-19-9-8-18(12-15(19)20)11-14-7-6-13(10-17-14)16(2,3)4/h6-7,10H,5,8-9,11-12H2,1-4H3
InChIKeyKZLFWDULDMBCKG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.04
Rot. Bonds3

About 4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one

4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one (PubChem CID 176702548) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one
PubChem CID176702548
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one
SMILESCCN1CCN(Cc2ccc(C(C)(C)C)cn2)CC1=O
InChIInChI=1S/C16H25N3O/c1-5-19-9-8-18(12-15(19)20)11-14-7-6-13(10-17-14)16(2,3)4/h6-7,10H,5,8-9,11-12H2,1-4H3
InChIKeyKZLFWDULDMBCKG-UHFFFAOYSA-N
XLogP2.04
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one
CID 118632989
5-tert-butyl-2-[(3,4-difluoropyrrolidin-1-yl)methyl]pyridine
CID 176703031
1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
CID 117013569
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine
CID 118632947
4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one
CID 155471385
1-ethyl-4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-2-one
CID 123925176
1-ethyl-4-(2-methylpropyl)piperazin-2-one
CID 117013553
1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 154580851
1-ethyl-4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-2-one
CID 126788559
4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one
CID 103056548

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one?
The IUPAC name of 4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one (CID 176702548) is 4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one.
What is the SMILES notation for 4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one?
The canonical SMILES for 4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one is CCN1CCN(Cc2ccc(C(C)(C)C)cn2)CC1=O.
What is the InChIKey of 4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one?
The InChIKey is KZLFWDULDMBCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-19-9-8-18(12-15(19)20)11-14-7-6-13(10-17-14)16(2,3)4/h6-7,10H,5,8-9,11-12H2,1-4H3.
What are the key properties of 4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one?
4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one is sourced from PubChem (CID 176702548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).