pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate

C20H20FN3O4 — CID 58270742

IUPACpyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
SMILESO=C(CNC(=O)C1CCN(C(=O)Oc2cccnc2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H20FN3O4/c21-16-4-1-3-15(11-16)18(25)13-23-19(26)14-6-9-24(10-7-14)20(27)28-17-5-2-8-22-12-17/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,23,26)
InChIKeyCXFKYGPTYWSFLB-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.43
Rot. Bonds5

About pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate

pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 58270742) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
PubChem CID58270742
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Namepyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
SMILESO=C(CNC(=O)C1CCN(C(=O)Oc2cccnc2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H20FN3O4/c21-16-4-1-3-15(11-16)18(25)13-23-19(26)14-6-9-24(10-7-14)20(27)28-17-5-2-8-22-12-17/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,23,26)
InChIKeyCXFKYGPTYWSFLB-UHFFFAOYSA-N
XLogP2.43
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate 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

(6-methyl-3-pyridinyl) 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
CID 58270731
1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17223654
benzene;diiodomethane;ethane;pyridin-3-yl 4-(3-oxobutanoyl)piperidine-1-carboxylate;hydroiodide
CID 161221158
2-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924769
pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270813
phenyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60746156
N'-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520979
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885
2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone
CID 116557703
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate (CID 58270742) is pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate is O=C(CNC(=O)C1CCN(C(=O)Oc2cccnc2)CC1)c1cccc(F)c1.
What is the InChIKey of pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is CXFKYGPTYWSFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c21-16-4-1-3-15(11-16)18(25)13-23-19(26)14-6-9-24(10-7-14)20(27)28-17-5-2-8-22-12-17/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,23,26).
What are the key properties of pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 385.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 58270742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).