N-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide

C16H19N3O2 — CID 20910161

IUPACN-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C16H19N3O2/c1-18-11-14(12-7-3-4-8-13(12)15(18)20)17-16(21)19-9-5-2-6-10-19/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,21)
InChIKeySJPJWPVATBGZPG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.56
Rot. Bonds1

About N-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide

N-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide (PubChem CID 20910161) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide
PubChem CID20910161
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C16H19N3O2/c1-18-11-14(12-7-3-4-8-13(12)15(18)20)17-16(21)19-9-5-2-6-10-19/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,21)
InChIKeySJPJWPVATBGZPG-UHFFFAOYSA-N
XLogP2.56
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide (CID 20910161) is N-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide is Cn1cc(NC(=O)N2CCCCC2)c2ccccc2c1=O.
What is the InChIKey of N-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide?
The InChIKey is SJPJWPVATBGZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18-11-14(12-7-3-4-8-13(12)15(18)20)17-16(21)19-9-5-2-6-10-19/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,21).
What are the key properties of N-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide?
N-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-oxoisoquinolin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 20910161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).