5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide

C21H22FN3O2 — CID 124591641

IUPAC5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
SMILESC[C@H](c1ccncc1)N1CCC(NC(=O)c2cc3cc(F)ccc3o2)CC1
InChIInChI=1S/C21H22FN3O2/c1-14(15-4-8-23-9-5-15)25-10-6-18(7-11-25)24-21(26)20-13-16-12-17(22)2-3-19(16)27-20/h2-5,8-9,12-14,18H,6-7,10-11H2,1H3,(H,24,26)/t14-/m1/s1
InChIKeyRJLHXWGSQWKFKK-CQSZACIVSA-N
MW367.42 g/mol
LogP3.92
Rot. Bonds4

About 5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide

5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide (PubChem CID 124591641) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
PubChem CID124591641
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
SMILESC[C@H](c1ccncc1)N1CCC(NC(=O)c2cc3cc(F)ccc3o2)CC1
InChIInChI=1S/C21H22FN3O2/c1-14(15-4-8-23-9-5-15)25-10-6-18(7-11-25)24-21(26)20-13-16-12-17(22)2-3-19(16)27-20/h2-5,8-9,12-14,18H,6-7,10-11H2,1H3,(H,24,26)/t14-/m1/s1
InChIKeyRJLHXWGSQWKFKK-CQSZACIVSA-N
XLogP3.92
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 126783424
2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide
CID 124591552
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 86967753
1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 126793193
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1H-indole-5-carboxamide
CID 124591554
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99700655
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126795988
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 166009058
4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 124591472
1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide
CID 99696199
(2R,5S)-2,5-dimethyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]morpholine-4-carboxamide
CID 124777293
3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 99701439

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide (CID 124591641) is 5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide is C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc3cc(F)ccc3o2)CC1.
What is the InChIKey of 5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
The InChIKey is RJLHXWGSQWKFKK-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-14(15-4-8-23-9-5-15)25-10-6-18(7-11-25)24-21(26)20-13-16-12-17(22)2-3-19(16)27-20/h2-5,8-9,12-14,18H,6-7,10-11H2,1H3,(H,24,26)/t14-/m1/s1.
What are the key properties of 5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 124591641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).