[4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate

C27H25FN2O5 — CID 46662282

IUPAC[4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C27H25FN2O5/c1-34-24-7-3-2-6-23(24)25(31)29-21-12-14-22(15-13-21)35-27(33)19-5-4-16-30(17-19)26(32)18-8-10-20(28)11-9-18/h2-3,6-15,19H,4-5,16-17H2,1H3,(H,29,31)
InChIKeyGEZJQLTYDBFTKW-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.54
Rot. Bonds6

About [4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate

[4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate (PubChem CID 46662282) has the molecular formula C27H25FN2O5 and a molecular weight of 476.50 g/mol. Its IUPAC name is [4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
PubChem CID46662282
Molecular FormulaC27H25FN2O5
Molecular Weight476.50 g/mol
Exact Mass476.17
IUPAC Name[4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C27H25FN2O5/c1-34-24-7-3-2-6-23(24)25(31)29-21-12-14-22(15-13-21)35-27(33)19-5-4-16-30(17-19)26(32)18-8-10-20(28)11-9-18/h2-3,6-15,19H,4-5,16-17H2,1H3,(H,29,31)
InChIKeyGEZJQLTYDBFTKW-UHFFFAOYSA-N
XLogP4.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
CID 26699631
2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26168076
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660896
1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate
CID 46635792
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 42394704
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435
ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate
CID 156780894
1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid
CID 156780927
N-[1-[4-(azepane-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55991059

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate (CID 46662282) is [4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for [4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for [4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate is COc1ccccc1C(=O)Nc1ccc(OC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cc1.
What is the InChIKey of [4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The InChIKey is GEZJQLTYDBFTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O5/c1-34-24-7-3-2-6-23(24)25(31)29-21-12-14-22(15-13-21)35-27(33)19-5-4-16-30(17-19)26(32)18-8-10-20(28)11-9-18/h2-3,6-15,19H,4-5,16-17H2,1H3,(H,29,31).
What are the key properties of [4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
[4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate has a molecular weight of 476.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 46662282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).