1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one

C23H27N3O — CID 4271918

IUPAC1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCc1ccc2c(C(=O)C(C)N3CCN(c4ccccc4)CC3)c(C)[nH]c2c1
InChIInChI=1S/C23H27N3O/c1-16-9-10-20-21(15-16)24-17(2)22(20)23(27)18(3)25-11-13-26(14-12-25)19-7-5-4-6-8-19/h4-10,15,18,24H,11-14H2,1-3H3
InChIKeyFIKFMUQWOJOROL-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.18
Rot. Bonds4

About 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one

1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 4271918) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID4271918
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCc1ccc2c(C(=O)C(C)N3CCN(c4ccccc4)CC3)c(C)[nH]c2c1
InChIInChI=1S/C23H27N3O/c1-16-9-10-20-21(15-16)24-17(2)22(20)23(27)18(3)25-11-13-26(14-12-25)19-7-5-4-6-8-19/h4-10,15,18,24H,11-14H2,1-3H3
InChIKeyFIKFMUQWOJOROL-UHFFFAOYSA-N
XLogP4.18
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 8688287
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8592237
(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8587205
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 18082753
1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 18086318
(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 8896360
(2R)-1-(2,6-dimethyl-1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 11914434
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 41473821
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 17079114
1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 46662835
2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 20993320
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one (CID 4271918) is 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one is Cc1ccc2c(C(=O)C(C)N3CCN(c4ccccc4)CC3)c(C)[nH]c2c1.
What is the InChIKey of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is FIKFMUQWOJOROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16-9-10-20-21(15-16)24-17(2)22(20)23(27)18(3)25-11-13-26(14-12-25)19-7-5-4-6-8-19/h4-10,15,18,24H,11-14H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one?
1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 361.49 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 4271918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).