[4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone

C28H26FN3O2 — CID 15487213

IUPAC[4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c[nH]c2cccc(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)c12
InChIInChI=1S/C28H26FN3O2/c29-22-11-9-20(10-12-22)13-14-31-15-17-32(18-16-31)28(34)23-7-4-8-25-26(23)24(19-30-25)27(33)21-5-2-1-3-6-21/h1-12,19,30H,13-18H2
InChIKeyCYMVPVNLUKFMDV-UHFFFAOYSA-N
MW455.53 g/mol
LogP4.54
Rot. Bonds6

About [4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone

[4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone (PubChem CID 15487213) has the molecular formula C28H26FN3O2 and a molecular weight of 455.53 g/mol. Its IUPAC name is [4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone
PubChem CID15487213
Molecular FormulaC28H26FN3O2
Molecular Weight455.53 g/mol
Exact Mass455.20
IUPAC Name[4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c[nH]c2cccc(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)c12
InChIInChI=1S/C28H26FN3O2/c29-22-11-9-20(10-12-22)13-14-31-15-17-32(18-16-31)28(34)23-7-4-8-25-26(23)24(19-30-25)27(33)21-5-2-1-3-6-21/h1-12,19,30H,13-18H2
InChIKeyCYMVPVNLUKFMDV-UHFFFAOYSA-N
XLogP4.54
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride
CID 21275355
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90511889
[4-(2-phenylethyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167836
5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile
CID 22017560
(3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55706709
1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 110308578
2-(4-fluorophenyl)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]ethanone
CID 108533899
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9467029

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone?
The IUPAC name of [4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone (CID 15487213) is [4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone.
What is the SMILES notation for [4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone?
The canonical SMILES for [4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone is O=C(c1ccccc1)c1c[nH]c2cccc(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)c12.
What is the InChIKey of [4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone?
The InChIKey is CYMVPVNLUKFMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O2/c29-22-11-9-20(10-12-22)13-14-31-15-17-32(18-16-31)28(34)23-7-4-8-25-26(23)24(19-30-25)27(33)21-5-2-1-3-6-21/h1-12,19,30H,13-18H2.
What are the key properties of [4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone?
[4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone has a molecular weight of 455.53 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone is sourced from PubChem (CID 15487213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).