1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone

C21H23N3O — CID 86188477

IUPAC1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H23N3O/c25-21(19-16-22-20-9-5-4-8-18(19)20)24-14-12-23(13-15-24)11-10-17-6-2-1-3-7-17/h1-9,16,22H,10-15H2
InChIKeyQXHGVMKPFHEKEC-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.17
Rot. Bonds4

About 1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone

1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 86188477) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID86188477
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H23N3O/c25-21(19-16-22-20-9-5-4-8-18(19)20)24-14-12-23(13-15-24)11-10-17-6-2-1-3-7-17/h1-9,16,22H,10-15H2
InChIKeyQXHGVMKPFHEKEC-UHFFFAOYSA-N
XLogP3.17
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90511889
[4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone
CID 15487213
[4-(2-phenylethyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167836
5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid
CID 29132484
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone
CID 67585696
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone
CID 137340536
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 945225
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
CID 42512291
8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione
CID 58509565

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 86188477) is 1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone is O=C(c1c[nH]c2ccccc12)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is QXHGVMKPFHEKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21(19-16-22-20-9-5-4-8-18(19)20)24-14-12-23(13-15-24)11-10-17-6-2-1-3-7-17/h1-9,16,22H,10-15H2.
What are the key properties of 1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone?
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 333.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86188477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).