(3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one

C19H21N3O3 — CID 95768495

IUPAC(3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one
SMILESC[C@]1(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C19H21N3O3/c1-19(11-13-5-2-3-7-15(13)17(23)25-19)18(24)22-10-4-6-14(12-22)16-8-9-20-21-16/h2-3,5,7-9,14H,4,6,10-12H2,1H3,(H,20,21)/t14-,19+/m0/s1
InChIKeyONOPAOHHPJQYSV-IFXJQAMLSA-N
MW339.39 g/mol
LogP2.29
Rot. Bonds2

About (3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one

(3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one (PubChem CID 95768495) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is (3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one.

Molecular Properties

Compound Name(3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one
PubChem CID95768495
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name(3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one
SMILESC[C@]1(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C19H21N3O3/c1-19(11-13-5-2-3-7-15(13)17(23)25-19)18(24)22-10-4-6-14(12-22)16-8-9-20-21-16/h2-3,5,7-9,14H,4,6,10-12H2,1H3,(H,20,21)/t14-,19+/m0/s1
InChIKeyONOPAOHHPJQYSV-IFXJQAMLSA-N
XLogP2.29
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-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

1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895789
[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95768730
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366
[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768326
1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 95768398
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
CID 95761963
4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 71880314
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one?
The IUPAC name of (3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one (CID 95768495) is (3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one.
What is the SMILES notation for (3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one?
The canonical SMILES for (3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one is C[C@]1(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)Cc2ccccc2C(=O)O1.
What is the InChIKey of (3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one?
The InChIKey is ONOPAOHHPJQYSV-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19(11-13-5-2-3-7-15(13)17(23)25-19)18(24)22-10-4-6-14(12-22)16-8-9-20-21-16/h2-3,5,7-9,14H,4,6,10-12H2,1H3,(H,20,21)/t14-,19+/m0/s1.
What are the key properties of (3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one?
(3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one has a molecular weight of 339.39 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one is sourced from PubChem (CID 95768495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).