(6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate

C21H22FN3O4 — CID 58270731

IUPAC(6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCC(C(=O)NCC(=O)c3cccc(F)c3)CC2)cn1
InChIInChI=1S/C21H22FN3O4/c1-14-5-6-18(12-23-14)29-21(28)25-9-7-15(8-10-25)20(27)24-13-19(26)16-3-2-4-17(22)11-16/h2-6,11-12,15H,7-10,13H2,1H3,(H,24,27)
InChIKeyXRKVQMDPUOFOJY-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.74
Rot. Bonds5

About (6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate

(6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 58270731) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
PubChem CID58270731
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name(6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCC(C(=O)NCC(=O)c3cccc(F)c3)CC2)cn1
InChIInChI=1S/C21H22FN3O4/c1-14-5-6-18(12-23-14)29-21(28)25-9-7-15(8-10-25)20(27)24-13-19(26)16-3-2-4-17(22)11-16/h2-6,11-12,15H,7-10,13H2,1H3,(H,24,27)
InChIKeyXRKVQMDPUOFOJY-UHFFFAOYSA-N
XLogP2.74
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
CID 58270742
(6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate
CID 58270753
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 108805796
phenyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60746156
2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone
CID 116557703
1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17223719
1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17223654
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 17497247
tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39956468
1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide
CID 17223785
N-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 82114443

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of (6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate (CID 58270731) is (6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for (6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for (6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate is Cc1ccc(OC(=O)N2CCC(C(=O)NCC(=O)c3cccc(F)c3)CC2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is XRKVQMDPUOFOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-14-5-6-18(12-23-14)29-21(28)25-9-7-15(8-10-25)20(27)24-13-19(26)16-3-2-4-17(22)11-16/h2-6,11-12,15H,7-10,13H2,1H3,(H,24,27).
What are the key properties of (6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
(6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 399.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 58270731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).