N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide

C21H22FN4O2+ — CID 9405101

IUPACN-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c22-16-5-7-17(8-6-16)23-20(27)14-25-9-11-26(12-10-25)21(28)19-13-15-3-1-2-4-18(15)24-19/h1-8,13,24H,9-12,14H2,(H,23,27)/p+1
InChIKeyQYPFJFVRKDDQOO-UHFFFAOYSA-O
MW381.43 g/mol
LogP1.29
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 9405101) has the molecular formula C21H22FN4O2+ and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide
PubChem CID9405101
Molecular FormulaC21H22FN4O2+
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c22-16-5-7-17(8-6-16)23-20(27)14-25-9-11-26(12-10-25)21(28)19-13-15-3-1-2-4-18(15)24-19/h1-8,13,24H,9-12,14H2,(H,23,27)/p+1
InChIKeyQYPFJFVRKDDQOO-UHFFFAOYSA-O
XLogP1.29
TPSA69.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9223309
2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
CID 9022112
N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide
CID 5061478
2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8749252
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
CID 9223569
2-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
CID 9405097
N-(4-fluorophenyl)-2-[4-[(E)-3-quinolin-2-ylprop-2-enoyl]piperazin-1-ium-1-yl]acetamide
CID 9022030
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 51896857
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide
CID 46445784
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide (CID 9405101) is N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide is O=C(C[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is QYPFJFVRKDDQOO-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H21FN4O2/c22-16-5-7-17(8-6-16)23-20(27)14-25-9-11-26(12-10-25)21(28)19-13-15-3-1-2-4-18(15)24-19/h1-8,13,24H,9-12,14H2,(H,23,27)/p+1.
What are the key properties of N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9405101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).