N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C22H24FN3O3 — CID 55703103

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C22H24FN3O3/c1-13-19-17(7-4-8-18(19)27)25-20(13)21(28)24-14-9-11-26(12-10-14)22(29)15-5-2-3-6-16(15)23/h2-3,5-6,14,25H,4,7-12H2,1H3,(H,24,28)
InChIKeyFJFOPVXQBKGKJL-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.02
Rot. Bonds3

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 55703103) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID55703103
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C22H24FN3O3/c1-13-19-17(7-4-8-18(19)27)25-20(13)21(28)24-14-9-11-26(12-10-14)22(29)15-5-2-3-6-16(15)23/h2-3,5-6,14,25H,4,7-12H2,1H3,(H,24,28)
InChIKeyFJFOPVXQBKGKJL-UHFFFAOYSA-N
XLogP3.02
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37345240
3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 166191316
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820368
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678843
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
3-methyl-2-[(4S)-4-methylazepane-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 95249705
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 32522716

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 55703103) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is FJFOPVXQBKGKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-13-19-17(7-4-8-18(19)27)25-20(13)21(28)24-14-9-11-26(12-10-14)22(29)15-5-2-3-6-16(15)23/h2-3,5-6,14,25H,4,7-12H2,1H3,(H,24,28).
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 55703103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).