3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide

C29H34FN3O3 — CID 59553166

IUPAC3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide
SMILESO=C(Nc1ccc(OCCCN2CCOCC2)c2ccccc12)c1cc(F)cc(N2CCCCC2)c1
InChIInChI=1S/C29H34FN3O3/c30-23-19-22(20-24(21-23)33-12-4-1-5-13-33)29(34)31-27-9-10-28(26-8-3-2-7-25(26)27)36-16-6-11-32-14-17-35-18-15-32/h2-3,7-10,19-21H,1,4-6,11-18H2,(H,31,34)
InChIKeyGKBVRTXLONPSDJ-UHFFFAOYSA-N
MW491.61 g/mol
LogP5.32
Rot. Bonds8

About 3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide

3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide (PubChem CID 59553166) has the molecular formula C29H34FN3O3 and a molecular weight of 491.61 g/mol. Its IUPAC name is 3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide
PubChem CID59553166
Molecular FormulaC29H34FN3O3
Molecular Weight491.61 g/mol
Exact Mass491.26
IUPAC Name3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide
SMILESO=C(Nc1ccc(OCCCN2CCOCC2)c2ccccc12)c1cc(F)cc(N2CCCCC2)c1
InChIInChI=1S/C29H34FN3O3/c30-23-19-22(20-24(21-23)33-12-4-1-5-13-33)29(34)31-27-9-10-28(26-8-3-2-7-25(26)27)36-16-6-11-32-14-17-35-18-15-32/h2-3,7-10,19-21H,1,4-6,11-18H2,(H,31,34)
InChIKeyGKBVRTXLONPSDJ-UHFFFAOYSA-N
XLogP5.32
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.61
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-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

Related Compounds

3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide
CID 59553278
N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
CID 59553109
3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 157180794
3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide
CID 59553272
3-fluoro-N-[4-(2-methylsulfanylpyrimidin-4-yl)oxynaphthalen-1-yl]-5-pyrrolidin-1-ylbenzamide
CID 59553205
3-fluoro-N-[4-(2-methylsulfonylpyrimidin-4-yl)oxynaphthalen-1-yl]-5-morpholin-4-ylbenzamide
CID 59553095
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553184
3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 143171289
3-fluoro-N-[4-[2-(2-methoxyethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]-5-morpholin-4-ylbenzamide
CID 59553354
4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553258
N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide
CID 59553169
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide?
The IUPAC name of 3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide (CID 59553166) is 3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide is O=C(Nc1ccc(OCCCN2CCOCC2)c2ccccc12)c1cc(F)cc(N2CCCCC2)c1.
What is the InChIKey of 3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide?
The InChIKey is GKBVRTXLONPSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O3/c30-23-19-22(20-24(21-23)33-12-4-1-5-13-33)29(34)31-27-9-10-28(26-8-3-2-7-25(26)27)36-16-6-11-32-14-17-35-18-15-32/h2-3,7-10,19-21H,1,4-6,11-18H2,(H,31,34).
What are the key properties of 3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide?
3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide has a molecular weight of 491.61 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 59553166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).