(2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one

C22H25N3O — CID 8688287

IUPAC(2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H25N3O/c1-16-21(19-10-6-7-11-20(19)23-16)22(26)17(2)24-12-14-25(15-13-24)18-8-4-3-5-9-18/h3-11,17,23H,12-15H2,1-2H3/t17-/m1/s1
InChIKeyLYLNSAKOOPSRGW-QGZVFWFLSA-N
MW347.46 g/mol
LogP3.87
Rot. Bonds4

About (2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one

(2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 8688287) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID8688287
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H25N3O/c1-16-21(19-10-6-7-11-20(19)23-16)22(26)17(2)24-12-14-25(15-13-24)18-8-4-3-5-9-18/h3-11,17,23H,12-15H2,1-2H3/t17-/m1/s1
InChIKeyLYLNSAKOOPSRGW-QGZVFWFLSA-N
XLogP3.87
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4271918
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8592237
(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 8896360
1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 18086318
(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-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 4916613
(2S)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 40984857
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 42535984
(2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8591530

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one (CID 8688287) is (2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one is Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is LYLNSAKOOPSRGW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-21(19-10-6-7-11-20(19)23-16)22(26)17(2)24-12-14-25(15-13-24)18-8-4-3-5-9-18/h3-11,17,23H,12-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one?
(2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 347.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 8688287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).