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

C22H23FN4O2 — CID 47065618

IUPACN-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C22H23FN4O2/c23-19-7-3-1-5-16(19)14-25-22(29)27-11-9-26(10-12-27)21(28)13-17-15-24-20-8-4-2-6-18(17)20/h1-8,15,24H,9-14H2,(H,25,29)
InChIKeyWYYMCTKCDDFKBN-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.90
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide (PubChem CID 47065618) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
PubChem CID47065618
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C22H23FN4O2/c23-19-7-3-1-5-16(19)14-25-22(29)27-11-9-26(10-12-27)21(28)13-17-15-24-20-8-4-2-6-18(17)20/h1-8,15,24H,9-14H2,(H,25,29)
InChIKeyWYYMCTKCDDFKBN-UHFFFAOYSA-N
XLogP2.90
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 60502687
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 55923111
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
N'-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108531516
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
1-[7-(2-fluorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-2-(1H-indol-3-yl)ethanone
CID 121192259
1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55809909
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511461

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide (CID 47065618) is N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide is O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)NCc2ccccc2F)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide?
The InChIKey is WYYMCTKCDDFKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-19-7-3-1-5-16(19)14-25-22(29)27-11-9-26(10-12-27)21(28)13-17-15-24-20-8-4-2-6-18(17)20/h1-8,15,24H,9-14H2,(H,25,29).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 47065618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).