N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide

C23H24FN3O2 — CID 56672407

IUPACN-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc3cnccc3c2)C2CCNCC2)cc1F
InChIInChI=1S/C23H24FN3O2/c1-29-21-5-4-17(13-20(21)24)22(15-6-9-25-10-7-15)27-23(28)18-2-3-19-14-26-11-8-16(19)12-18/h2-5,8,11-15,22,25H,6-7,9-10H2,1H3,(H,27,28)
InChIKeyGMMUHXJPOVGLQA-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.85
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide

N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide (PubChem CID 56672407) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide
PubChem CID56672407
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc3cnccc3c2)C2CCNCC2)cc1F
InChIInChI=1S/C23H24FN3O2/c1-29-21-5-4-17(13-20(21)24)22(15-6-9-25-10-7-15)27-23(28)18-2-3-19-14-26-11-8-16(19)12-18/h2-5,8,11-15,22,25H,6-7,9-10H2,1H3,(H,27,28)
InChIKeyGMMUHXJPOVGLQA-UHFFFAOYSA-N
XLogP3.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide (CID 56672407) is N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide is COc1ccc(C(NC(=O)c2ccc3cnccc3c2)C2CCNCC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide?
The InChIKey is GMMUHXJPOVGLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-29-21-5-4-17(13-20(21)24)22(15-6-9-25-10-7-15)27-23(28)18-2-3-19-14-26-11-8-16(19)12-18/h2-5,8,11-15,22,25H,6-7,9-10H2,1H3,(H,27,28).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)-piperidin-4-ylmethyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 56672407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).