(6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate

C25H24FNO5 — CID 46820057

IUPAC(6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCCc1cc2c(C)cc(=O)oc2cc1OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H24FNO5/c1-3-16-13-20-15(2)12-23(28)31-22(20)14-21(16)32-25(30)18-8-10-27(11-9-18)24(29)17-4-6-19(26)7-5-17/h4-7,12-14,18H,3,8-11H2,1-2H3
InChIKeyMKGRKPBKQUELEF-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.26
Rot. Bonds4

About (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate

(6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 46820057) has the molecular formula C25H24FNO5 and a molecular weight of 437.47 g/mol. Its IUPAC name is (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID46820057
Molecular FormulaC25H24FNO5
Molecular Weight437.47 g/mol
Exact Mass437.16
IUPAC Name(6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCCc1cc2c(C)cc(=O)oc2cc1OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H24FNO5/c1-3-16-13-20-15(2)12-23(28)31-22(20)14-21(16)32-25(30)18-8-10-27(11-9-18)24(29)17-4-6-19(26)7-5-17/h4-7,12-14,18H,3,8-11H2,1-2H3
InChIKeyMKGRKPBKQUELEF-UHFFFAOYSA-N
XLogP4.26
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,3,5-trimethylphenyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 32997684
(7-acetamido-2-oxochromen-4-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 4781177
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 43000155
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740015
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91712006
(6-ethyl-4-methyl-2-oxochromen-7-yl) 2-amino-3-phenylpropanoate
CID 21180115
(6-ethyl-4-methyl-2-oxochromen-7-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 55380662
1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide
CID 46926488
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 36831722
ethyl 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl]piperidine-4-carboxylate
CID 50828615

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 46820057) is (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate is CCc1cc2c(C)cc(=O)oc2cc1OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is MKGRKPBKQUELEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO5/c1-3-16-13-20-15(2)12-23(28)31-22(20)14-21(16)32-25(30)18-8-10-27(11-9-18)24(29)17-4-6-19(26)7-5-17/h4-7,12-14,18H,3,8-11H2,1-2H3.
What are the key properties of (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
(6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 437.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 46820057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).