N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide

C26H30N4O3 — CID 55586725

IUPACN-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C(Cc3c[nH]c4ccccc34)NC(C)=O)CC2)cc1
InChIInChI=1S/C26H30N4O3/c1-3-19-8-10-20(11-9-19)25(32)29-12-14-30(15-13-29)26(33)24(28-18(2)31)16-21-17-27-23-7-5-4-6-22(21)23/h4-11,17,24,27H,3,12-16H2,1-2H3,(H,28,31)
InChIKeyNGHNABBNHYPFLK-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.76
Rot. Bonds6

About N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide

N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 55586725) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
PubChem CID55586725
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C(Cc3c[nH]c4ccccc34)NC(C)=O)CC2)cc1
InChIInChI=1S/C26H30N4O3/c1-3-19-8-10-20(11-9-19)25(32)29-12-14-30(15-13-29)26(33)24(28-18(2)31)16-21-17-27-23-7-5-4-6-22(21)23/h4-11,17,24,27H,3,12-16H2,1-2H3,(H,28,31)
InChIKeyNGHNABBNHYPFLK-UHFFFAOYSA-N
XLogP2.76
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide with MolForge

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Related Compounds

1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32770411
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 35807048
N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 38393886
N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
CID 55981658
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
N-[(2S)-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 37017427
N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55650702
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 112843422
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392
N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 166216090

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide (CID 55586725) is N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide is CCc1ccc(C(=O)N2CCN(C(=O)C(Cc3c[nH]c4ccccc34)NC(C)=O)CC2)cc1.
What is the InChIKey of N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is NGHNABBNHYPFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-3-19-8-10-20(11-9-19)25(32)29-12-14-30(15-13-29)26(33)24(28-18(2)31)16-21-17-27-23-7-5-4-6-22(21)23/h4-11,17,24,27H,3,12-16H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 446.55 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 55586725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).