N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide

C23H25N3O2 — CID 46360383

IUPACN-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C23H25N3O2/c1-28-18-11-9-17(10-12-18)15-25-23(27)21-16-24-22(26-13-5-2-6-14-26)20-8-4-3-7-19(20)21/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,25,27)
InChIKeyARIYFINGWGHGFX-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.16
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide

N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide (PubChem CID 46360383) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
PubChem CID46360383
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C23H25N3O2/c1-28-18-11-9-17(10-12-18)15-25-23(27)21-16-24-22(26-13-5-2-6-14-26)20-8-4-3-7-19(20)21/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,25,27)
InChIKeyARIYFINGWGHGFX-UHFFFAOYSA-N
XLogP4.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-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

N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360398
methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate
CID 15998604
2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093870
4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53108157
N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298248
N-[(4-methoxyphenyl)methyl]-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 53181390
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-(3-methoxypropyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 122174450
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324
1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide
CID 46360377
N-(3-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360419

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide (CID 46360383) is N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide is COc1ccc(CNC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide?
The InChIKey is ARIYFINGWGHGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-28-18-11-9-17(10-12-18)15-25-23(27)21-16-24-22(26-13-5-2-6-14-26)20-8-4-3-7-19(20)21/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,25,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide is sourced from PubChem (CID 46360383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).