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

C21H21FN4O2 — CID 56887539

IUPACN-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CNCCN1C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H21FN4O2/c22-15-5-7-16(8-6-15)25-21(28)19-13-23-9-10-26(19)20(27)11-14-12-24-18-4-2-1-3-17(14)18/h1-8,12,19,23-24H,9-11,13H2,(H,25,28)
InChIKeyLLSDIHGBHFJCMH-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.29
Rot. Bonds4

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

N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide (PubChem CID 56887539) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
PubChem CID56887539
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CNCCN1C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H21FN4O2/c22-15-5-7-16(8-6-15)25-21(28)19-13-23-9-10-26(19)20(27)11-14-12-24-18-4-2-1-3-17(14)18/h1-8,12,19,23-24H,9-11,13H2,(H,25,28)
InChIKeyLLSDIHGBHFJCMH-UHFFFAOYSA-N
XLogP2.29
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-benzyl-N-[4-(4-fluorophenoxy)phenyl]-1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 67009450
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
CID 124513931
(2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide
CID 95723495
1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide
CID 155982994
(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide
CID 25391117
(2R)-1-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperazine-2-carboxamide
CID 25391109
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113008816
4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
CID 56911441
N-cyclopropyl-1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 86924365
3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
CID 63600642
1-[3-(4-fluorophenyl)morpholin-4-yl]-2-(1H-indol-3-yl)ethanone
CID 110663792
1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid
CID 80740531

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide (CID 56887539) is N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide is O=C(Nc1ccc(F)cc1)C1CNCCN1C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide?
The InChIKey is LLSDIHGBHFJCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-15-5-7-16(8-6-15)25-21(28)19-13-23-9-10-26(19)20(27)11-14-12-24-18-4-2-1-3-17(14)18/h1-8,12,19,23-24H,9-11,13H2,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide?
N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide is sourced from PubChem (CID 56887539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).