1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one

C23H26FN3O — CID 113211563

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(C)(C)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN3O/c1-16-21(19-6-4-5-7-20(19)25-16)23(2,3)22(28)27-14-12-26(13-15-27)18-10-8-17(24)9-11-18/h4-11,25H,12-15H2,1-3H3
InChIKeyMXYSHQYWHKBSHD-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.24
Rot. Bonds3

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one (PubChem CID 113211563) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one
PubChem CID113211563
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(C)(C)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN3O/c1-16-21(19-6-4-5-7-20(19)25-16)23(2,3)22(28)27-14-12-26(13-15-27)18-10-8-17(24)9-11-18/h4-11,25H,12-15H2,1-3H3
InChIKeyMXYSHQYWHKBSHD-UHFFFAOYSA-N
XLogP4.24
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-methyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 113211573
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 113198059
2-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197527
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 42535984
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 41473821
1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 166210029
N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide
CID 108964923
1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 4916613
3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108961688
3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propan-2-ylpropanamide
CID 108957222
2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 31853042
3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione
CID 4911305

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one (CID 113211563) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one is Cc1[nH]c2ccccc2c1C(C)(C)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one?
The InChIKey is MXYSHQYWHKBSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-16-21(19-6-4-5-7-20(19)25-16)23(2,3)22(28)27-14-12-26(13-15-27)18-10-8-17(24)9-11-18/h4-11,25H,12-15H2,1-3H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one has a molecular weight of 379.48 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 113211563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).