3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride

C25H30ClFN2O2 — CID 19075037

IUPAC3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride
SMILESCCC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21.Cl
InChIInChI=1S/C25H29FN2O2.ClH/c1-3-25(2)21-6-4-5-7-22(21)28(24(25)30)17-16-27-14-12-19(13-15-27)23(29)18-8-10-20(26)11-9-18;/h4-11,19H,3,12-17H2,1-2H3;1H
InChIKeyZNLWYQZARTWVCU-UHFFFAOYSA-N
MW444.98 g/mol
LogP4.86
Rot. Bonds6

About 3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride

3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride (PubChem CID 19075037) has the molecular formula C25H30ClFN2O2 and a molecular weight of 444.98 g/mol. Its IUPAC name is 3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride
PubChem CID19075037
Molecular FormulaC25H30ClFN2O2
Molecular Weight444.98 g/mol
Exact Mass444.20
IUPAC Name3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride
SMILESCCC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21.Cl
InChIInChI=1S/C25H29FN2O2.ClH/c1-3-25(2)21-6-4-5-7-22(21)28(24(25)30)17-16-27-14-12-19(13-15-27)23(29)18-8-10-20(26)11-9-18;/h4-11,19H,3,12-17H2,1-2H3;1H
InChIKeyZNLWYQZARTWVCU-UHFFFAOYSA-N
XLogP4.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.98
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride 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

1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-methoxy-3,3-dimethylindol-2-one;hydrochloride
CID 19075031
3-ethyl-1-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride
CID 70286708
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one
CID 58172370
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931
3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 136526629
(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
CID 14882741
2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride
CID 22150162
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-[(2-methoxyphenyl)methyl]benzimidazol-2-one;hydrochloride
CID 18780669
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
CID 19690037

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride?
The IUPAC name of 3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride (CID 19075037) is 3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride.
What is the SMILES notation for 3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride?
The canonical SMILES for 3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride is CCC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21.Cl.
What is the InChIKey of 3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride?
The InChIKey is ZNLWYQZARTWVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2.ClH/c1-3-25(2)21-6-4-5-7-22(21)28(24(25)30)17-16-27-14-12-19(13-15-27)23(29)18-8-10-20(26)11-9-18;/h4-11,19H,3,12-17H2,1-2H3;1H.
What are the key properties of 3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride?
3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride has a molecular weight of 444.98 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride is sourced from PubChem (CID 19075037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).