1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one

C16H23N3O3 — CID 146075683

IUPAC1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one
SMILESCC(C)Oc1ncccc1C(=O)N1CCN(C)C(=O)C1(C)C
InChIInChI=1S/C16H23N3O3/c1-11(2)22-13-12(7-6-8-17-13)14(20)19-10-9-18(5)15(21)16(19,3)4/h6-8,11H,9-10H2,1-5H3
InChIKeyOYQLMQVMOAFBGZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.56
Rot. Bonds3

About 1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one

1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one (PubChem CID 146075683) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one
PubChem CID146075683
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one
SMILESCC(C)Oc1ncccc1C(=O)N1CCN(C)C(=O)C1(C)C
InChIInChI=1S/C16H23N3O3/c1-11(2)22-13-12(7-6-8-17-13)14(20)19-10-9-18(5)15(21)16(19,3)4/h6-8,11H,9-10H2,1-5H3
InChIKeyOYQLMQVMOAFBGZ-UHFFFAOYSA-N
XLogP1.56
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 105386922
propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
CID 121229095
4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 105070728
2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442979
4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 107185544
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 146040645
1-[2-(difluoromethoxy)-3-pyridinyl]ethanone
CID 130837604
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
CID 103243931
(3,3-difluoroazetidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 122269321
3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one
CID 63607746
4-(4-bromo-3-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 81002670

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one?
The IUPAC name of 1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one (CID 146075683) is 1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one is CC(C)Oc1ncccc1C(=O)N1CCN(C)C(=O)C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one?
The InChIKey is OYQLMQVMOAFBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)22-13-12(7-6-8-17-13)14(20)19-10-9-18(5)15(21)16(19,3)4/h6-8,11H,9-10H2,1-5H3.
What are the key properties of 1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one?
1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one has a molecular weight of 305.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 146075683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).