[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone

C23H22FN3O2 — CID 51896857

IUPAC[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C23H22FN3O2/c24-17-7-5-15(6-8-17)18-14-19(18)22(28)26-9-11-27(12-10-26)23(29)21-13-16-3-1-2-4-20(16)25-21/h1-8,13,18-19,25H,9-12,14H2/t18-,19+/m1/s1
InChIKeyUGZSLVXHUWVLKG-MOPGFXCFSA-N
MW391.45 g/mol
LogP3.40
Rot. Bonds3

About [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone

[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 51896857) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
PubChem CID51896857
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C23H22FN3O2/c24-17-7-5-15(6-8-17)18-14-19(18)22(28)26-9-11-27(12-10-26)23(29)21-13-16-3-1-2-4-20(16)25-21/h1-8,13,18-19,25H,9-12,14H2/t18-,19+/m1/s1
InChIKeyUGZSLVXHUWVLKG-MOPGFXCFSA-N
XLogP3.40
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896883
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119314153
3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 94526549
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
(E)-1-[4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 51897927
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9405101

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone (CID 51896857) is [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1.
What is the InChIKey of [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is UGZSLVXHUWVLKG-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-17-7-5-15(6-8-17)18-14-19(18)22(28)26-9-11-27(12-10-26)23(29)21-13-16-3-1-2-4-20(16)25-21/h1-8,13,18-19,25H,9-12,14H2/t18-,19+/m1/s1.
What are the key properties of [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone?
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 391.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 51896857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).