3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one

C14H21N3O2 — CID 103336925

IUPAC3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one
SMILESCC(C)CN1CCN(C(=O)c2c[nH]ccc2=O)CC1
InChIInChI=1S/C14H21N3O2/c1-11(2)10-16-5-7-17(8-6-16)14(19)12-9-15-4-3-13(12)18/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,18)
InChIKeyTYQQWEWUHASWDW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.79
Rot. Bonds3

About 3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one

3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one (PubChem CID 103336925) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one
PubChem CID103336925
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one
SMILESCC(C)CN1CCN(C(=O)c2c[nH]ccc2=O)CC1
InChIInChI=1S/C14H21N3O2/c1-11(2)10-16-5-7-17(8-6-16)14(19)12-9-15-4-3-13(12)18/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,18)
InChIKeyTYQQWEWUHASWDW-UHFFFAOYSA-N
XLogP0.79
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dihydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114344301
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
(2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 106686399
(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114371674
(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 103863563
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
(5-fluoro-2-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 79882938
3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103336976
(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107074618
3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 103337557
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
(2-chloro-5-methylsulfanylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 112765531

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one (CID 103336925) is 3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one is CC(C)CN1CCN(C(=O)c2c[nH]ccc2=O)CC1.
What is the InChIKey of 3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one?
The InChIKey is TYQQWEWUHASWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)10-16-5-7-17(8-6-16)14(19)12-9-15-4-3-13(12)18/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,18).
What are the key properties of 3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one?
3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one has a molecular weight of 263.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 103336925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).