methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate

C27H27FN2O3 — CID 58508449

IUPACmethyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate
SMILESCOC(=O)c1cc(F)c(-c2ccccc2)cc1NC(=O)c1cc(N2CCCCC2)ccc1C
InChIInChI=1S/C27H27FN2O3/c1-18-11-12-20(30-13-7-4-8-14-30)15-21(18)26(31)29-25-17-22(19-9-5-3-6-10-19)24(28)16-23(25)27(32)33-2/h3,5-6,9-12,15-17H,4,7-8,13-14H2,1-2H3,(H,29,31)
InChIKeyNSQSNSOBRYULKJ-UHFFFAOYSA-N
MW446.52 g/mol
LogP5.83
Rot. Bonds5

About methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate

methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate (PubChem CID 58508449) has the molecular formula C27H27FN2O3 and a molecular weight of 446.52 g/mol. Its IUPAC name is methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate
PubChem CID58508449
Molecular FormulaC27H27FN2O3
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC Namemethyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate
SMILESCOC(=O)c1cc(F)c(-c2ccccc2)cc1NC(=O)c1cc(N2CCCCC2)ccc1C
InChIInChI=1S/C27H27FN2O3/c1-18-11-12-20(30-13-7-4-8-14-30)15-21(18)26(31)29-25-17-22(19-9-5-3-6-10-19)24(28)16-23(25)27(32)33-2/h3,5-6,9-12,15-17H,4,7-8,13-14H2,1-2H3,(H,29,31)
InChIKeyNSQSNSOBRYULKJ-UHFFFAOYSA-N
XLogP5.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate 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

Methyl 3-amino-2-[(4-phenylpiperazin-1-yl)methyl]benzoate
CID 1475138
Methyl 2-({[4-(4-fluorophenyl)-1-piperazinyl]carbonyl}amino)benzoate
CID 2211563
methyl 4-[(E)-3-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-3-oxoprop-1-enyl]benzoate
CID 11421242
8-Fluoro-6-oxo-5,6-dihydro-phenanthridine-3-carboxylic acid methyl ester
CID 9878580
3-[3-(3-Cyano-phenyl)-ureido]-2-[4-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-benzoic acid methyl ester
CID 10874762
2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-3-(3-phenyl-ureido)-benzoic acid methyl ester
CID 10939698
3-[3-(3-Acetyl-phenyl)-ureido]-2-[4-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-benzoic acid methyl ester
CID 11763035
methyl 4-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoate
CID 68184870
Methyl 2-(4-(2-(trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoate
CID 72195909
methyl-4'-[(N-phenylpentanamido)methyl]biphenyl-2-carboxylate
CID 118432349
2-{2-[4-(2-Methyl-benzoylamino)-piperidin-1-yl]-acetylamino}-benzoic acid methyl ester
CID 651058
Methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 667122

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate?
The IUPAC name of methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate (CID 58508449) is methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate.
What is the SMILES notation for methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate?
The canonical SMILES for methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate is COC(=O)c1cc(F)c(-c2ccccc2)cc1NC(=O)c1cc(N2CCCCC2)ccc1C.
What is the InChIKey of methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate?
The InChIKey is NSQSNSOBRYULKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O3/c1-18-11-12-20(30-13-7-4-8-14-30)15-21(18)26(31)29-25-17-22(19-9-5-3-6-10-19)24(28)16-23(25)27(32)33-2/h3,5-6,9-12,15-17H,4,7-8,13-14H2,1-2H3,(H,29,31).
What are the key properties of methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate?
methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate has a molecular weight of 446.52 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-[(2-methyl-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate is sourced from PubChem (CID 58508449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).