N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide

C21H22FN5O2 — CID 52898372

IUPACN-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C21H22FN5O2/c1-26-8-10-27(11-9-26)21(29)25-19-4-2-15(22)13-17(19)20(28)24-16-3-5-18-14(12-16)6-7-23-18/h2-7,12-13,23H,8-11H2,1H3,(H,24,28)(H,25,29)
InChIKeyARZIEVKAXWTZOI-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.34
Rot. Bonds3

About N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide

N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide (PubChem CID 52898372) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide
PubChem CID52898372
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C21H22FN5O2/c1-26-8-10-27(11-9-26)21(29)25-19-4-2-15(22)13-17(19)20(28)24-16-3-5-18-14(12-16)6-7-23-18/h2-7,12-13,23H,8-11H2,1H3,(H,24,28)(H,25,29)
InChIKeyARZIEVKAXWTZOI-UHFFFAOYSA-N
XLogP3.34
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-N-(1H-indol-5-yl)benzamide
CID 60865687
4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide
CID 96536158
N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
CID 72870748
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide
CID 110471413
5-bromo-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 62074359
N-(4-fluoro-2-iodophenyl)-1H-indole-5-carboxamide
CID 79766806
5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide
CID 90489194
N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide
CID 65309477
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-fluorobenzoic acid
CID 106670745
2,4-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571914

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide (CID 52898372) is N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is ARZIEVKAXWTZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-26-8-10-27(11-9-26)21(29)25-19-4-2-15(22)13-17(19)20(28)24-16-3-5-18-14(12-16)6-7-23-18/h2-7,12-13,23H,8-11H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide?
N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 52898372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).