N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide

C32H33FN2O4 — CID 59553461

IUPACN-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
SMILESCOc1ccc(CCOc2ccc(NC(=O)c3cc(F)cc(N4CCCCC4)c3)c3ccccc23)cc1OC
InChIInChI=1S/C32H33FN2O4/c1-37-30-12-10-22(18-31(30)38-2)14-17-39-29-13-11-28(26-8-4-5-9-27(26)29)34-32(36)23-19-24(33)21-25(20-23)35-15-6-3-7-16-35/h4-5,8-13,18-21H,3,6-7,14-17H2,1-2H3,(H,34,36)
InChIKeyUWLKMVBYBKDORY-UHFFFAOYSA-N
MW528.62 g/mol
LogP6.86
Rot. Bonds9

About N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide

N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide (PubChem CID 59553461) has the molecular formula C32H33FN2O4 and a molecular weight of 528.62 g/mol. Its IUPAC name is N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
PubChem CID59553461
Molecular FormulaC32H33FN2O4
Molecular Weight528.62 g/mol
Exact Mass528.24
IUPAC NameN-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
SMILESCOc1ccc(CCOc2ccc(NC(=O)c3cc(F)cc(N4CCCCC4)c3)c3ccccc23)cc1OC
InChIInChI=1S/C32H33FN2O4/c1-37-30-12-10-22(18-31(30)38-2)14-17-39-29-13-11-28(26-8-4-5-9-27(26)29)34-32(36)23-19-24(33)21-25(20-23)35-15-6-3-7-16-35/h4-5,8-13,18-21H,3,6-7,14-17H2,1-2H3,(H,34,36)
InChIKeyUWLKMVBYBKDORY-UHFFFAOYSA-N
XLogP6.86
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide 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-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide?
The IUPAC name of N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide (CID 59553461) is N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide?
The canonical SMILES for N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide is COc1ccc(CCOc2ccc(NC(=O)c3cc(F)cc(N4CCCCC4)c3)c3ccccc23)cc1OC.
What is the InChIKey of N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide?
The InChIKey is UWLKMVBYBKDORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN2O4/c1-37-30-12-10-22(18-31(30)38-2)14-17-39-29-13-11-28(26-8-4-5-9-27(26)29)34-32(36)23-19-24(33)21-25(20-23)35-15-6-3-7-16-35/h4-5,8-13,18-21H,3,6-7,14-17H2,1-2H3,(H,34,36).
What are the key properties of N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide?
N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide has a molecular weight of 528.62 g/mol, XLogP of 6.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 59553461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).