methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate

C19H18FN3O4 — CID 44783641

IUPACmethyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(F)cc2)CCN1C(=O)c1cccnc1
InChIInChI=1S/C19H18FN3O4/c1-27-19(26)16-12-22(17(24)13-4-6-15(20)7-5-13)9-10-23(16)18(25)14-3-2-8-21-11-14/h2-8,11,16H,9-10,12H2,1H3
InChIKeyRFVKFOYDXUYOLK-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.36
Rot. Bonds3

About methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate

methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate (PubChem CID 44783641) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
PubChem CID44783641
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Namemethyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(F)cc2)CCN1C(=O)c1cccnc1
InChIInChI=1S/C19H18FN3O4/c1-27-19(26)16-12-22(17(24)13-4-6-15(20)7-5-13)9-10-23(16)18(25)14-3-2-8-21-11-14/h2-8,11,16H,9-10,12H2,1H3
InChIKeyRFVKFOYDXUYOLK-UHFFFAOYSA-N
XLogP1.36
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-methoxybenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 78454993
methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783659
methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 163173658
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133137955
methyl 4-(benzenesulfonyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783646
methyl (2R)-2-[[(2S)-1-acetyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate
CID 162913099
methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 44783658
methyl 4-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 174340416
(2R)-4-benzoyl-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 162802444
1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 73139587
(2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 163118923

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate?
The IUPAC name of methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate (CID 44783641) is methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate?
The canonical SMILES for methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate is COC(=O)C1CN(C(=O)c2ccc(F)cc2)CCN1C(=O)c1cccnc1.
What is the InChIKey of methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate?
The InChIKey is RFVKFOYDXUYOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-27-19(26)16-12-22(17(24)13-4-6-15(20)7-5-13)9-10-23(16)18(25)14-3-2-8-21-11-14/h2-8,11,16H,9-10,12H2,1H3.
What are the key properties of methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate?
methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate has a molecular weight of 371.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate is sourced from PubChem (CID 44783641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).