5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one

C15H25N3O2 — CID 107435155

IUPAC5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one
SMILESCC1CCN(C(=O)C2CNC(=O)CN2)C2CCCCC12
InChIInChI=1S/C15H25N3O2/c1-10-6-7-18(13-5-3-2-4-11(10)13)15(20)12-8-17-14(19)9-16-12/h10-13,16H,2-9H2,1H3,(H,17,19)
InChIKeyUWHVBVYLNWFHEA-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.50
Rot. Bonds1

About 5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one

5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one (PubChem CID 107435155) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one
PubChem CID107435155
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one
SMILESCC1CCN(C(=O)C2CNC(=O)CN2)C2CCCCC12
InChIInChI=1S/C15H25N3O2/c1-10-6-7-18(13-5-3-2-4-11(10)13)15(20)12-8-17-14(19)9-16-12/h10-13,16H,2-9H2,1H3,(H,17,19)
InChIKeyUWHVBVYLNWFHEA-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104913359
4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one
CID 84588479
5-(2,3,5-trimethylpiperidine-1-carbonyl)piperazin-2-one
CID 107437791
5-(azetidine-1-carbonyl)piperazin-2-one
CID 126980518
2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
CID 61266812
3-amino-2,2,3-trimethyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one
CID 65269856
5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one
CID 107436688
3-amino-2,2-dimethyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
CID 115426411
5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one
CID 107437768
tert-butyl 5-oxopiperazine-2-carboxylate
CID 103846290
5-(3-piperidin-1-ylpyrrolidine-1-carbonyl)piperazin-2-one
CID 107436462
[(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone
CID 97092506

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one?
The IUPAC name of 5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one (CID 107435155) is 5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one.
What is the SMILES notation for 5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one?
The canonical SMILES for 5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one is CC1CCN(C(=O)C2CNC(=O)CN2)C2CCCCC12.
What is the InChIKey of 5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one?
The InChIKey is UWHVBVYLNWFHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-6-7-18(13-5-3-2-4-11(10)13)15(20)12-8-17-14(19)9-16-12/h10-13,16H,2-9H2,1H3,(H,17,19).
What are the key properties of 5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one?
5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one has a molecular weight of 279.38 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one is sourced from PubChem (CID 107435155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).