1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one

C15H21N3O2 — CID 82522641

IUPAC1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(cc(C(=O)N3CCNCC3)c1=O)CCCC2
InChIInChI=1S/C15H21N3O2/c1-17-13-5-3-2-4-11(13)10-12(14(17)19)15(20)18-8-6-16-7-9-18/h10,16H,2-9H2,1H3
InChIKeyDFOCDZFZVJBONB-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.31
Rot. Bonds1

About 1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one

1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 82522641) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID82522641
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(cc(C(=O)N3CCNCC3)c1=O)CCCC2
InChIInChI=1S/C15H21N3O2/c1-17-13-5-3-2-4-11(13)10-12(14(17)19)15(20)18-8-6-16-7-9-18/h10,16H,2-9H2,1H3
InChIKeyDFOCDZFZVJBONB-UHFFFAOYSA-N
XLogP0.31
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(piperazine-1-carbonyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522532
3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522490
1-(2-methoxyethyl)-3-(piperazine-1-carbonyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522794
3-[6-(hydroxymethyl)-1,4-oxazepane-4-carbonyl]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 70753246
3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 72845219
1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid
CID 105461542
(5R)-3-methyl-9-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 126444687
3-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 97140133
1-ethyl-6-methyl-3-(piperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522057
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 97036567
3-(1,4-diazepane-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 119418144
1-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 118765571

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 82522641) is 1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one is Cn1c2c(cc(C(=O)N3CCNCC3)c1=O)CCCC2.
What is the InChIKey of 1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is DFOCDZFZVJBONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-13-5-3-2-4-11(13)10-12(14(17)19)15(20)18-8-6-16-7-9-18/h10,16H,2-9H2,1H3.
What are the key properties of 1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one?
1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 82522641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).