[4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

C23H22FN3O3 — CID 146199045

IUPAC[4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-n2ccc3cc(F)ccc32)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C23H22FN3O3/c24-18-3-6-20-17(15-18)7-10-27(20)19-4-1-16(2-5-19)21(28)25-11-13-26(14-12-25)22(29)23(30)8-9-23/h1-7,10,15,30H,8-9,11-14H2
InChIKeyMBTFMWFMAPOFLN-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.58
Rot. Bonds3

About [4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

[4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (PubChem CID 146199045) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is [4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
PubChem CID146199045
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name[4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-n2ccc3cc(F)ccc32)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C23H22FN3O3/c24-18-3-6-20-17(15-18)7-10-27(20)19-4-1-16(2-5-19)21(28)25-11-13-26(14-12-25)22(29)23(30)8-9-23/h1-7,10,15,30H,8-9,11-14H2
InChIKeyMBTFMWFMAPOFLN-UHFFFAOYSA-N
XLogP2.58
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

4-(5-fluoroindol-1-yl)benzoic acid
CID 56689281
[4-(6-fluoroquinazolin-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621615
[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone
CID 134096101
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
3-(5-fluoroindol-1-yl)benzoic acid
CID 18385061
[3-chloro-4-[1-(trifluoromethyl)indol-5-yl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621523
[3-fluoro-4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621481
[4-(2-fluoro-3-hydroxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 139377478
[4-(7-fluoro-2,3-dihydroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621534
(4-indol-1-ylphenyl)-piperazin-1-ylmethanone
CID 141433311
[4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840299
1-(4-carbamoylphenyl)indole-5-carboxylic acid
CID 59626065

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (CID 146199045) is [4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is O=C(c1ccc(-n2ccc3cc(F)ccc32)cc1)N1CCN(C(=O)C2(O)CC2)CC1.
What is the InChIKey of [4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is MBTFMWFMAPOFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c24-18-3-6-20-17(15-18)7-10-27(20)19-4-1-16(2-5-19)21(28)25-11-13-26(14-12-25)22(29)23(30)8-9-23/h1-7,10,15,30H,8-9,11-14H2.
What are the key properties of [4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
[4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 407.45 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146199045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).