(3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide

C21H22N2O3 — CID 25409056

IUPAC(3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1O[C@@H](C(=O)Nc2ccccc2N2CCCCC2)Cc2ccccc21
InChIInChI=1S/C21H22N2O3/c24-20(19-14-15-8-2-3-9-16(15)21(25)26-19)22-17-10-4-5-11-18(17)23-12-6-1-7-13-23/h2-5,8-11,19H,1,6-7,12-14H2,(H,22,24)/t19-/m1/s1
InChIKeyPSVNBQBVBSUHGZ-LJQANCHMSA-N
MW350.42 g/mol
LogP3.40
Rot. Bonds3

About (3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide

(3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide (PubChem CID 25409056) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide
PubChem CID25409056
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1O[C@@H](C(=O)Nc2ccccc2N2CCCCC2)Cc2ccccc21
InChIInChI=1S/C21H22N2O3/c24-20(19-14-15-8-2-3-9-16(15)21(25)26-19)22-17-10-4-5-11-18(17)23-12-6-1-7-13-23/h2-5,8-11,19H,1,6-7,12-14H2,(H,22,24)/t19-/m1/s1
InChIKeyPSVNBQBVBSUHGZ-LJQANCHMSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide 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

(3S)-1-oxo-N-(5-piperidin-1-ylisoquinolin-8-yl)-3,4-dihydroisochromene-3-carboxamide
CID 25393800
2-[[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]benzoic acid
CID 2146567
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51267894
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43024471
5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46616235
(3S)-N-(2-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 753364
1-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydroisochromene-3-carboxamide
CID 5111630
(3R)-1-oxo-N-phenyl-3,4-dihydroisochromene-3-carboxamide
CID 2146542
(3S)-1-oxo-N-(2-thiomorpholin-4-yl-3-pyridinyl)-3,4-dihydroisochromene-3-carboxamide
CID 94413793
(3R)-N-(1H-indol-4-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 94797600
(3R)-N-[2-[hydroxy(diphenyl)methyl]phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 41093830
(2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26707711

Frequently Asked Questions

What is the IUPAC name of (3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of (3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide (CID 25409056) is (3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for (3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for (3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide is O=C1O[C@@H](C(=O)Nc2ccccc2N2CCCCC2)Cc2ccccc21.
What is the InChIKey of (3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is PSVNBQBVBSUHGZ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20(19-14-15-8-2-3-9-16(15)21(25)26-19)22-17-10-4-5-11-18(17)23-12-6-1-7-13-23/h2-5,8-11,19H,1,6-7,12-14H2,(H,22,24)/t19-/m1/s1.
What are the key properties of (3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide?
(3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 25409056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).