N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

C24H29FN4O2 — CID 53248212

IUPACN-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H29FN4O2/c1-31-23-9-5-4-8-22(23)29-14-12-28(13-15-29)17-19(25)10-11-26-24(30)21-16-18-6-2-3-7-20(18)27-21/h2-9,16,19,27H,10-15,17H2,1H3,(H,26,30)
InChIKeyJLMZACVBNICYMZ-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.46
Rot. Bonds8

About N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (PubChem CID 53248212) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
PubChem CID53248212
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H29FN4O2/c1-31-23-9-5-4-8-22(23)29-14-12-28(13-15-29)17-19(25)10-11-26-24(30)21-16-18-6-2-3-7-20(18)27-21/h2-9,16,19,27H,10-15,17H2,1H3,(H,26,30)
InChIKeyJLMZACVBNICYMZ-UHFFFAOYSA-N
XLogP3.46
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (CID 53248212) is N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The InChIKey is JLMZACVBNICYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-31-23-9-5-4-8-22(23)29-14-12-28(13-15-29)17-19(25)10-11-26-24(30)21-16-18-6-2-3-7-20(18)27-21/h2-9,16,19,27H,10-15,17H2,1H3,(H,26,30).
What are the key properties of N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 53248212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).