3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one

C16H21N3O2 — CID 63603518

IUPAC3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cccc2c1NCCC2
InChIInChI=1S/C16H21N3O2/c1-2-13-15(20)18-9-10-19(13)16(21)12-7-3-5-11-6-4-8-17-14(11)12/h3,5,7,13,17H,2,4,6,8-10H2,1H3,(H,18,20)
InChIKeyNFTVZEHEDRGIBB-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.40
Rot. Bonds2

About 3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one

3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one (PubChem CID 63603518) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one
PubChem CID63603518
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cccc2c1NCCC2
InChIInChI=1S/C16H21N3O2/c1-2-13-15(20)18-9-10-19(13)16(21)12-7-3-5-11-6-4-8-17-14(11)12/h3,5,7,13,17H,2,4,6,8-10H2,1H3,(H,18,20)
InChIKeyNFTVZEHEDRGIBB-UHFFFAOYSA-N
XLogP1.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

(2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62213479
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one
CID 63604442
(2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62332348
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62213645
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
[4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 106836042
4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813
4-(2,4-dibromobenzoyl)-3-ethylpiperazin-2-one
CID 103882803
3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one
CID 63601340
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62214013

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one (CID 63603518) is 3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1cccc2c1NCCC2.
What is the InChIKey of 3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one?
The InChIKey is NFTVZEHEDRGIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-13-15(20)18-9-10-19(13)16(21)12-7-3-5-11-6-4-8-17-14(11)12/h3,5,7,13,17H,2,4,6,8-10H2,1H3,(H,18,20).
What are the key properties of 3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one?
3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one is sourced from PubChem (CID 63603518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).