3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one

C16H21N3O2 — CID 63606548

IUPAC3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H21N3O2/c1-16(2)15(21)18-8-9-19(16)14(20)12-5-6-13-11(10-12)4-3-7-17-13/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,18,21)
InChIKeyZMSUCBOQLFXFKH-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.40
Rot. Bonds1

About 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one

3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one (PubChem CID 63606548) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one
PubChem CID63606548
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H21N3O2/c1-16(2)15(21)18-8-9-19(16)14(20)12-5-6-13-11(10-12)4-3-7-17-13/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,18,21)
InChIKeyZMSUCBOQLFXFKH-UHFFFAOYSA-N
XLogP1.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63744029
4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66075589
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058
2,3-dihydro-1H-indol-5-yl-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63217542
4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 63596087
4-(4-amino-3-nitrobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63602844
4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
4-(3,5-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 55218363
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 81005031
4-(4-fluoro-3-nitrobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63606868

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one (CID 63606548) is 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one?
The InChIKey is ZMSUCBOQLFXFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2)15(21)18-8-9-19(16)14(20)12-5-6-13-11(10-12)4-3-7-17-13/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,18,21).
What are the key properties of 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one is sourced from PubChem (CID 63606548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).