N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide

C22H23FN4O2 — CID 71829158

IUPACN-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN4O2/c1-16(28)24-20-3-2-4-21-19(20)9-10-27(21)15-22(29)26-13-11-25(12-14-26)18-7-5-17(23)6-8-18/h2-10H,11-15H2,1H3,(H,24,28)
InChIKeyUUZSDDCAQVPRAS-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.09
Rot. Bonds4

About N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide

N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide (PubChem CID 71829158) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
PubChem CID71829158
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN4O2/c1-16(28)24-20-3-2-4-21-19(20)9-10-27(21)15-22(29)26-13-11-25(12-14-26)18-7-5-17(23)6-8-18/h2-10H,11-15H2,1H3,(H,24,28)
InChIKeyUUZSDDCAQVPRAS-UHFFFAOYSA-N
XLogP3.09
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide
CID 71828394
2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 39334214
N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide
CID 109027276
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
N-(3-chloro-2-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949524
N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949556
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
CID 71829005
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
2-[4-[(4-fluorophenyl)methylsulfanyl]pyrrolo[3,2-c]pyridin-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 50840287
2-(1-ethylindol-3-yl)-1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 86874234
3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione
CID 46861002

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide?
The IUPAC name of N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide (CID 71829158) is N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide is CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide?
The InChIKey is UUZSDDCAQVPRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-16(28)24-20-3-2-4-21-19(20)9-10-27(21)15-22(29)26-13-11-25(12-14-26)18-7-5-17(23)6-8-18/h2-10H,11-15H2,1H3,(H,24,28).
What are the key properties of N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide?
N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide is sourced from PubChem (CID 71829158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).