1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide

C16H21N3O2 — CID 167064888

IUPAC1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2C(=O)NCc3ccccc32)CC1
InChIInChI=1S/C16H21N3O2/c1-19-8-6-11(7-9-19)15(20)18-14-13-5-3-2-4-12(13)10-17-16(14)21/h2-5,11,14H,6-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyBRULYWCWOPOZLD-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.82
Rot. Bonds2

About 1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide

1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide (PubChem CID 167064888) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide
PubChem CID167064888
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2C(=O)NCc3ccccc32)CC1
InChIInChI=1S/C16H21N3O2/c1-19-8-6-11(7-9-19)15(20)18-14-13-5-3-2-4-12(13)10-17-16(14)21/h2-5,11,14H,6-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyBRULYWCWOPOZLD-UHFFFAOYSA-N
XLogP0.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide (CID 167064888) is 1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide is CN1CCC(C(=O)NC2C(=O)NCc3ccccc32)CC1.
What is the InChIKey of 1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide?
The InChIKey is BRULYWCWOPOZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19-8-6-11(7-9-19)15(20)18-14-13-5-3-2-4-12(13)10-17-16(14)21/h2-5,11,14H,6-10H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide?
1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 167064888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).