3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one

C18H18N4O2 — CID 95569131

IUPAC3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one
SMILESO=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C18H18N4O2/c23-17-15-6-2-1-4-13(15)10-16(20-17)18(24)21-8-3-5-14(11-21)22-9-7-19-12-22/h1-2,4,6-7,9-10,12,14H,3,5,8,11H2,(H,20,23)/t14-/m1/s1
InChIKeyYWAIWILFLOBEQR-CQSZACIVSA-N
MW322.37 g/mol
LogP2.20
Rot. Bonds2

About 3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one

3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one (PubChem CID 95569131) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one
PubChem CID95569131
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one
SMILESO=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C18H18N4O2/c23-17-15-6-2-1-4-13(15)10-16(20-17)18(24)21-8-3-5-14(11-21)22-9-7-19-12-22/h1-2,4,6-7,9-10,12,14H,3,5,8,11H2,(H,20,23)/t14-/m1/s1
InChIKeyYWAIWILFLOBEQR-CQSZACIVSA-N
XLogP2.20
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95309669
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95313752
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 95313622
3-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 51649138
3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 24675834
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 95980741
imidazo[1,2-a]pyridin-2-yl-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95350987
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 56819188
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 95345476
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 36513690
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312405

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one?
The IUPAC name of 3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one (CID 95569131) is 3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one.
What is the SMILES notation for 3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one?
The canonical SMILES for 3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one is O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H](n2ccnc2)C1.
What is the InChIKey of 3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one?
The InChIKey is YWAIWILFLOBEQR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17-15-6-2-1-4-13(15)10-16(20-17)18(24)21-8-3-5-14(11-21)22-9-7-19-12-22/h1-2,4,6-7,9-10,12,14H,3,5,8,11H2,(H,20,23)/t14-/m1/s1.
What are the key properties of 3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one?
3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one has a molecular weight of 322.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one is sourced from PubChem (CID 95569131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).