3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one

C23H29N3O2 — CID 56891876

IUPAC3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCCC(N3CCc4ccccc4C3)C2)c1=O
InChIInChI=1S/C23H29N3O2/c1-3-26-17(2)10-11-21(23(26)28)22(27)25-13-6-9-20(16-25)24-14-12-18-7-4-5-8-19(18)15-24/h4-5,7-8,10-11,20H,3,6,9,12-16H2,1-2H3
InChIKeyJGIDMCAVZJXKPC-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.84
Rot. Bonds3

About 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one

3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one (PubChem CID 56891876) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
PubChem CID56891876
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCCC(N3CCc4ccccc4C3)C2)c1=O
InChIInChI=1S/C23H29N3O2/c1-3-26-17(2)10-11-21(23(26)28)22(27)25-13-6-9-20(16-25)24-14-12-18-7-4-5-8-19(18)15-24/h4-5,7-8,10-11,20H,3,6,9,12-16H2,1-2H3
InChIKeyJGIDMCAVZJXKPC-UHFFFAOYSA-N
XLogP2.84
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one with MolForge

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Related Compounds

5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 56883706
1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one
CID 70717837
[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 95718259
2-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 95719935
1-ethyl-6-methyl-3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidine-1-carbonyl]pyridin-2-one
CID 56894066
1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one
CID 95552185
(2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
CID 121017117
1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 126448084
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]butan-1-one;hydrochloride
CID 121017114
(4-chlorophenyl)-[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]methanone
CID 124711067
3-[(4S)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
CID 126451422
[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 124711878

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one?
The IUPAC name of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one (CID 56891876) is 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one.
What is the SMILES notation for 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one?
The canonical SMILES for 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one is CCn1c(C)ccc(C(=O)N2CCCC(N3CCc4ccccc4C3)C2)c1=O.
What is the InChIKey of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one?
The InChIKey is JGIDMCAVZJXKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-26-17(2)10-11-21(23(26)28)22(27)25-13-6-9-20(16-25)24-14-12-18-7-4-5-8-19(18)15-24/h4-5,7-8,10-11,20H,3,6,9,12-16H2,1-2H3.
What are the key properties of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one?
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one has a molecular weight of 379.50 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one is sourced from PubChem (CID 56891876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).