N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide

C20H28N4O2 — CID 51263125

IUPACN,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H28N4O2/c1-3-23(4-2)20(26)15-22-9-11-24(12-10-22)19(25)13-16-14-21-18-8-6-5-7-17(16)18/h5-8,14,21H,3-4,9-13,15H2,1-2H3
InChIKeyLANLHCIHQOXGFW-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.72
Rot. Bonds6

About N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide

N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 51263125) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID51263125
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H28N4O2/c1-3-23(4-2)20(26)15-22-9-11-24(12-10-22)19(25)13-16-14-21-18-8-6-5-7-17(16)18/h5-8,14,21H,3-4,9-13,15H2,1-2H3
InChIKeyLANLHCIHQOXGFW-UHFFFAOYSA-N
XLogP1.72
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 78793992
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
1-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113003701
2-(1H-indol-3-yl)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanone
CID 56789126
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 60502687
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32770411
3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 110398604
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide (CID 51263125) is N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is LANLHCIHQOXGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-23(4-2)20(26)15-22-9-11-24(12-10-22)19(25)13-16-14-21-18-8-6-5-7-17(16)18/h5-8,14,21H,3-4,9-13,15H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 51263125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).