5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide

C20H22FN3O2 — CID 167938020

IUPAC5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide
SMILESNC(=O)c1cc(F)ccc1N1CCN(C2Cc3ccccc3[C@@H]2O)CC1
InChIInChI=1S/C20H22FN3O2/c21-14-5-6-17(16(12-14)20(22)26)23-7-9-24(10-8-23)18-11-13-3-1-2-4-15(13)19(18)25/h1-6,12,18-19,25H,7-11H2,(H2,22,26)/t18?,19-/m0/s1
InChIKeyQJQPQKLXYSCSSL-GGYWPGCISA-N
MW355.41 g/mol
LogP1.70
Rot. Bonds3

About 5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide

5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide (PubChem CID 167938020) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide
PubChem CID167938020
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide
SMILESNC(=O)c1cc(F)ccc1N1CCN(C2Cc3ccccc3[C@@H]2O)CC1
InChIInChI=1S/C20H22FN3O2/c21-14-5-6-17(16(12-14)20(22)26)23-7-9-24(10-8-23)18-11-13-3-1-2-4-15(13)19(18)25/h1-6,12,18-19,25H,7-11H2,(H2,22,26)/t18?,19-/m0/s1
InChIKeyQJQPQKLXYSCSSL-GGYWPGCISA-N
XLogP1.70
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
CID 55232289
2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid
CID 63902966
2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 62930073
(1S,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 10948660
(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol
CID 58393444
2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 75444809
5-fluoro-2-[4-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)piperazin-1-yl]benzamide
CID 166296242
2-(3,4-dimethylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 63636093
4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
CID 124881650
2-(azocan-1-yl)-5-fluorobenzenecarbothioamide
CID 63675049
4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 75457035
2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol
CID 25164951

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide?
The IUPAC name of 5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide (CID 167938020) is 5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide.
What is the SMILES notation for 5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide?
The canonical SMILES for 5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide is NC(=O)c1cc(F)ccc1N1CCN(C2Cc3ccccc3[C@@H]2O)CC1.
What is the InChIKey of 5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide?
The InChIKey is QJQPQKLXYSCSSL-GGYWPGCISA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-14-5-6-17(16(12-14)20(22)26)23-7-9-24(10-8-23)18-11-13-3-1-2-4-15(13)19(18)25/h1-6,12,18-19,25H,7-11H2,(H2,22,26)/t18?,19-/m0/s1.
What are the key properties of 5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide?
5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide has a molecular weight of 355.41 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide is sourced from PubChem (CID 167938020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).