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

C17H25N3O2 — CID 82522490

IUPAC3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)n1c2c(cc(C(=O)N3CCNCC3)c1=O)CCCC2
InChIInChI=1S/C17H25N3O2/c1-12(2)20-15-6-4-3-5-13(15)11-14(17(20)22)16(21)19-9-7-18-8-10-19/h11-12,18H,3-10H2,1-2H3
InChIKeyIPGVXCTXBAVHJJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.35
Rot. Bonds2

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

3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 82522490) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID82522490
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)n1c2c(cc(C(=O)N3CCNCC3)c1=O)CCCC2
InChIInChI=1S/C17H25N3O2/c1-12(2)20-15-6-4-3-5-13(15)11-14(17(20)22)16(21)19-9-7-18-8-10-19/h11-12,18H,3-10H2,1-2H3
InChIKeyIPGVXCTXBAVHJJ-UHFFFAOYSA-N
XLogP1.35
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522641
3-(piperazine-1-carbonyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522532
1-(2-methoxyethyl)-3-(piperazine-1-carbonyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522794
3-(1,4-diazepane-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 119418144
1-ethyl-6-methyl-3-(piperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522057
3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521987
(E)-3-(2-oxo-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)prop-2-enoic acid
CID 82523188
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229
1-[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 69474283
6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one
CID 82443516
(1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 82510734
3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 72845219

Frequently Asked Questions

What is the IUPAC name of 3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one (CID 82522490) is 3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one is CC(C)n1c2c(cc(C(=O)N3CCNCC3)c1=O)CCCC2.
What is the InChIKey of 3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is IPGVXCTXBAVHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)20-15-6-4-3-5-13(15)11-14(17(20)22)16(21)19-9-7-18-8-10-19/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one?
3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 82522490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).