N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide

C25H29FN4O2 — CID 83282151

IUPACN-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)cc(C(=O)N1CCN(CC)CC1)n2Cc1cccc(F)c1
InChIInChI=1S/C25H29FN4O2/c1-3-24(31)27-21-8-9-22-19(15-21)16-23(25(32)29-12-10-28(4-2)11-13-29)30(22)17-18-6-5-7-20(26)14-18/h5-9,14-16H,3-4,10-13,17H2,1-2H3,(H,27,31)
InChIKeyHLORFPZGGWMEHU-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.95
Rot. Bonds6

About N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide

N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide (PubChem CID 83282151) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide
PubChem CID83282151
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC NameN-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)cc(C(=O)N1CCN(CC)CC1)n2Cc1cccc(F)c1
InChIInChI=1S/C25H29FN4O2/c1-3-24(31)27-21-8-9-22-19(15-21)16-23(25(32)29-12-10-28(4-2)11-13-29)30(22)17-18-6-5-7-20(26)14-18/h5-9,14-16H,3-4,10-13,17H2,1-2H3,(H,27,31)
InChIKeyHLORFPZGGWMEHU-UHFFFAOYSA-N
XLogP3.95
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide
CID 83287207
N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide
CID 91635112
N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide
CID 91635115
4-tert-butyl-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]benzenesulfonamide
CID 83278214
(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42806101
5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 57431513
5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 91634972
1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide
CID 69130872
2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 42808853
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991714
5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide
CID 69130889
1-ethyl-5-(propanoylamino)indole-2-carboxamide
CID 90488702

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide?
The IUPAC name of N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide (CID 83282151) is N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide?
The canonical SMILES for N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide is CCC(=O)Nc1ccc2c(c1)cc(C(=O)N1CCN(CC)CC1)n2Cc1cccc(F)c1.
What is the InChIKey of N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide?
The InChIKey is HLORFPZGGWMEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-3-24(31)27-21-8-9-22-19(15-21)16-23(25(32)29-12-10-28(4-2)11-13-29)30(22)17-18-6-5-7-20(26)14-18/h5-9,14-16H,3-4,10-13,17H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide?
N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide has a molecular weight of 436.53 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide is sourced from PubChem (CID 83282151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).