N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide

C23H22FN3O2 — CID 108554779

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H22FN3O2/c24-21-6-2-1-5-20(21)23(29)27-15-11-18(12-16-27)25-22(28)17-7-9-19(10-8-17)26-13-3-4-14-26/h1-10,13-14,18H,11-12,15-16H2,(H,25,28)
InChIKeyINXQEPIWAPTBLB-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.65
Rot. Bonds4

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide (PubChem CID 108554779) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
PubChem CID108554779
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H22FN3O2/c24-21-6-2-1-5-20(21)23(29)27-15-11-18(12-16-27)25-22(28)17-7-9-19(10-8-17)26-13-3-4-14-26/h1-10,13-14,18H,11-12,15-16H2,(H,25,28)
InChIKeyINXQEPIWAPTBLB-UHFFFAOYSA-N
XLogP3.65
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108561657
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554724
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554387
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554801
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335
ethyl [4-[[1-(2-fluorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548597
[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate
CID 86939213

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide (CID 108554779) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide is O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The InChIKey is INXQEPIWAPTBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-21-6-2-1-5-20(21)23(29)27-15-11-18(12-16-27)25-22(28)17-7-9-19(10-8-17)26-13-3-4-14-26/h1-10,13-14,18H,11-12,15-16H2,(H,25,28).
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide has a molecular weight of 391.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 108554779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).