propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate

C21H24FN3O3 — CID 133469687

IUPACpropan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O3/c1-14(2)28-21(27)18-4-3-11-23-19(18)25-12-9-15(10-13-25)20(26)24-17-7-5-16(22)6-8-17/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,24,26)
InChIKeyTVQCFRKYELCVEW-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.64
Rot. Bonds5

About propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate

propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 133469687) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate
PubChem CID133469687
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Namepropan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O3/c1-14(2)28-21(27)18-4-3-11-23-19(18)25-12-9-15(10-13-25)20(26)24-17-7-5-16(22)6-8-17/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,24,26)
InChIKeyTVQCFRKYELCVEW-UHFFFAOYSA-N
XLogP3.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 46333852
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 46599128
propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 133471654
N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834326
propan-2-yl 2-[4-[[4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 67324010
N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129880
N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 26978473
propan-2-yl 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133470036
propan-2-yl 2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)pyridine-3-carboxylate
CID 75522944
propan-2-yl 2-[(3S)-3-[(4-ethylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323448
propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate
CID 98892031
1-(2-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate (CID 133469687) is propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate is CC(C)OC(=O)c1cccnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is TVQCFRKYELCVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-14(2)28-21(27)18-4-3-11-23-19(18)25-12-9-15(10-13-25)20(26)24-17-7-5-16(22)6-8-17/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,24,26).
What are the key properties of propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate?
propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 385.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 133469687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).