1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone

C23H26N2O3 — CID 71304792

IUPAC1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C([C@H]1CCCCN1C(=O)COc1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C23H26N2O3/c26-22(17-28-20-10-2-1-3-11-20)25-14-7-6-12-21(25)23(27)24-15-13-18-8-4-5-9-19(18)16-24/h1-5,8-11,21H,6-7,12-17H2/t21-/m1/s1
InChIKeyCJQMUNJPWNNVDR-OAQYLSRUSA-N
MW378.47 g/mol
LogP3.03
Rot. Bonds4

About 1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 71304792) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone
PubChem CID71304792
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C([C@H]1CCCCN1C(=O)COc1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C23H26N2O3/c26-22(17-28-20-10-2-1-3-11-20)25-14-7-6-12-21(25)23(27)24-15-13-18-8-4-5-9-19(18)16-24/h1-5,8-11,21H,6-7,12-17H2/t21-/m1/s1
InChIKeyCJQMUNJPWNNVDR-OAQYLSRUSA-N
XLogP3.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone (CID 71304792) is 1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone is O=C([C@H]1CCCCN1C(=O)COc1ccccc1)N1CCc2ccccc2C1.
What is the InChIKey of 1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is CJQMUNJPWNNVDR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-22(17-28-20-10-2-1-3-11-20)25-14-7-6-12-21(25)23(27)24-15-13-18-8-4-5-9-19(18)16-24/h1-5,8-11,21H,6-7,12-17H2/t21-/m1/s1.
What are the key properties of 1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 378.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 71304792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).