N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide

C22H23N3O — CID 54045835

IUPACN-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide
SMILESCN1CCC(NC(=O)c2cnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C22H23N3O/c1-25-13-11-17(12-14-25)24-22(26)20-15-23-21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20/h2-10,15,17H,11-14H2,1H3,(H,24,26)
InChIKeyLPNKCWCOIPQRAI-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.73
Rot. Bonds3

About N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide

N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide (PubChem CID 54045835) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide
PubChem CID54045835
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide
SMILESCN1CCC(NC(=O)c2cnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C22H23N3O/c1-25-13-11-17(12-14-25)24-22(26)20-15-23-21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20/h2-10,15,17H,11-14H2,1H3,(H,24,26)
InChIKeyLPNKCWCOIPQRAI-UHFFFAOYSA-N
XLogP3.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate
CID 70442897
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
1-amino-N-cyclopentylisoquinoline-4-carboxamide
CID 106770096
7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide
CID 17372346
N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide
CID 78809424
2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide
CID 55861209
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 81236133
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
6-ethyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 136545760

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide (CID 54045835) is N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide is CN1CCC(NC(=O)c2cnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide?
The InChIKey is LPNKCWCOIPQRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-25-13-11-17(12-14-25)24-22(26)20-15-23-21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20/h2-10,15,17H,11-14H2,1H3,(H,24,26).
What are the key properties of N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide?
N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide is sourced from PubChem (CID 54045835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).