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

C23H26ClN3O — CID 19323530

IUPAC1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H26ClN3O/c24-20-7-3-5-18(15-20)17-26-11-13-27(14-12-26)23(28)10-4-6-19-16-25-22-9-2-1-8-21(19)22/h1-3,5,7-9,15-16,25H,4,6,10-14,17H2
InChIKeyLKCXYONAAMYNPF-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.49
Rot. Bonds6

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

1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one (PubChem CID 19323530) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
PubChem CID19323530
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H26ClN3O/c24-20-7-3-5-18(15-20)17-26-11-13-27(14-12-26)23(28)10-4-6-19-16-25-22-9-2-1-8-21(19)22/h1-3,5,7-9,15-16,25H,4,6,10-14,17H2
InChIKeyLKCXYONAAMYNPF-UHFFFAOYSA-N
XLogP4.49
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110616503
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 4807028
1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone
CID 110411979
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 39985541
1-[4-(6-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 127028536
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 110397461
4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119832689
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
(3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate
CID 7541533
1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 26660355
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one?
The IUPAC name of 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one (CID 19323530) is 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one?
The canonical SMILES for 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one is O=C(CCCc1c[nH]c2ccccc12)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one?
The InChIKey is LKCXYONAAMYNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c24-20-7-3-5-18(15-20)17-26-11-13-27(14-12-26)23(28)10-4-6-19-16-25-22-9-2-1-8-21(19)22/h1-3,5,7-9,15-16,25H,4,6,10-14,17H2.
What are the key properties of 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one?
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one has a molecular weight of 395.93 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 19323530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).