4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid

C22H24FN3O3 — CID 122020504

IUPAC4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C22H24FN3O3/c23-18-5-6-20-17(13-18)7-12-26(20)19-8-10-25(11-9-19)22(29)24-14-15-1-3-16(4-2-15)21(27)28/h1-6,13,19H,7-12,14H2,(H,24,29)(H,27,28)
InChIKeyLZTIFRHYZFGBRY-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.26
Rot. Bonds4

About 4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid

4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid (PubChem CID 122020504) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid
PubChem CID122020504
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C22H24FN3O3/c23-18-5-6-20-17(13-18)7-12-26(20)19-8-10-25(11-9-19)22(29)24-14-15-1-3-16(4-2-15)21(27)28/h1-6,13,19H,7-12,14H2,(H,24,29)(H,27,28)
InChIKeyLZTIFRHYZFGBRY-UHFFFAOYSA-N
XLogP3.26
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

N-benzyl-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 110747443
4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide
CID 154805799
4-[[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 63550040
4-[(piperazine-1-carbonylamino)methyl]benzoic acid
CID 61405049
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
CID 67417842
4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid
CID 122020416
N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113106624
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800974
(3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168266
1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120858326
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide
CID 22038292
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid (CID 122020504) is 4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)cc1.
What is the InChIKey of 4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid?
The InChIKey is LZTIFRHYZFGBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-18-5-6-20-17(13-18)7-12-26(20)19-8-10-25(11-9-19)22(29)24-14-15-1-3-16(4-2-15)21(27)28/h1-6,13,19H,7-12,14H2,(H,24,29)(H,27,28).
What are the key properties of 4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid?
4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid has a molecular weight of 397.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 122020504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).