N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide

C23H25FN4O2 — CID 60502687

IUPACN-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)NCc1ccccc1F
InChIInChI=1S/C23H25FN4O2/c24-20-7-3-1-5-17(20)14-26-22(29)16-27-9-11-28(12-10-27)23(30)13-18-15-25-21-8-4-2-6-19(18)21/h1-8,15,25H,9-14,16H2,(H,26,29)
InChIKeyLKRGIEJHSGSKRP-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.31
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide

N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 60502687) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID60502687
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)NCc1ccccc1F
InChIInChI=1S/C23H25FN4O2/c24-20-7-3-1-5-17(20)14-26-22(29)16-27-9-11-28(12-10-27)23(30)13-18-15-25-21-8-4-2-6-19(18)21/h1-8,15,25H,9-14,16H2,(H,26,29)
InChIKeyLKRGIEJHSGSKRP-UHFFFAOYSA-N
XLogP2.31
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 47065618
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 78793992
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 51263125
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 43020083
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 55923111
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide (CID 60502687) is N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is LKRGIEJHSGSKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-20-7-3-1-5-17(20)14-26-22(29)16-27-9-11-28(12-10-27)23(30)13-18-15-25-21-8-4-2-6-19(18)21/h1-8,15,25H,9-14,16H2,(H,26,29).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide?
N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 60502687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).