N-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

C19H23FN4O3 — CID 155255466

IUPACN-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCCCNC(=O)C(=O)N1CCN(C(=O)c2cc3cccc(F)c3[nH]2)CC1
InChIInChI=1S/C19H23FN4O3/c1-2-3-7-21-17(25)19(27)24-10-8-23(9-11-24)18(26)15-12-13-5-4-6-14(20)16(13)22-15/h4-6,12,22H,2-3,7-11H2,1H3,(H,21,25)
InChIKeyFSTJFVXLKXLBII-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.51
Rot. Bonds4

About N-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

N-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 155255466) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID155255466
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCCCNC(=O)C(=O)N1CCN(C(=O)c2cc3cccc(F)c3[nH]2)CC1
InChIInChI=1S/C19H23FN4O3/c1-2-3-7-21-17(25)19(27)24-10-8-23(9-11-24)18(26)15-12-13-5-4-6-14(20)16(13)22-15/h4-6,12,22H,2-3,7-11H2,1H3,(H,21,25)
InChIKeyFSTJFVXLKXLBII-UHFFFAOYSA-N
XLogP1.51
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide
CID 29130725
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxo-N-(2-phenylethyl)acetamide
CID 29134828
N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 71946894
1-[4-(6-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]heptane-1,2-dione
CID 165074266
N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816867
bis(7-fluoro-1H-indol-2-yl)methanone
CID 152595291
N-butyl-7-nitro-1H-indole-2-carboxamide
CID 2823660
(2R)-4-(7-fluoro-1H-indole-2-carbonyl)-2-methylmorpholine-2-carboxamide
CID 124990260
N-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113103949
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 29129307
N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 155255167
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108984477

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (CID 155255466) is N-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is CCCCNC(=O)C(=O)N1CCN(C(=O)c2cc3cccc(F)c3[nH]2)CC1.
What is the InChIKey of N-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is FSTJFVXLKXLBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-2-3-7-21-17(25)19(27)24-10-8-23(9-11-24)18(26)15-12-13-5-4-6-14(20)16(13)22-15/h4-6,12,22H,2-3,7-11H2,1H3,(H,21,25).
What are the key properties of N-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
N-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 374.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(7-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 155255466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).