4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one

C23H27N3O — CID 27040696

IUPAC4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C23H27N3O/c1-18-6-4-8-20(16-18)25-12-14-26(15-13-25)23(27)11-5-7-19-17-24-22-10-3-2-9-21(19)22/h2-4,6,8-10,16-17,24H,5,7,11-15H2,1H3
InChIKeyIWRMCINPFMJQGD-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.15
Rot. Bonds5

About 4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one

4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one (PubChem CID 27040696) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
PubChem CID27040696
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C23H27N3O/c1-18-6-4-8-20(16-18)25-12-14-26(15-13-25)23(27)11-5-7-19-17-24-22-10-3-2-9-21(19)22/h2-4,6,8-10,16-17,24H,5,7,11-15H2,1H3
InChIKeyIWRMCINPFMJQGD-UHFFFAOYSA-N
XLogP4.15
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531709
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
3-(1H-indol-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 4807104
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
N-(2,6-dimethylphenyl)-2-[4-[4-(1H-indol-3-yl)butanoyl]piperazin-1-yl]acetamide
CID 46655104
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 19323530
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113076853
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444
3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110330988
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 32530640

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one (CID 27040696) is 4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one is Cc1cccc(N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one?
The InChIKey is IWRMCINPFMJQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18-6-4-8-20(16-18)25-12-14-26(15-13-25)23(27)11-5-7-19-17-24-22-10-3-2-9-21(19)22/h2-4,6,8-10,16-17,24H,5,7,11-15H2,1H3.
What are the key properties of 4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one?
4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one has a molecular weight of 361.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 27040696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).