1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide

C20H26N4O4 — CID 110086030

IUPAC1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cn(CCOC)c3ccccc23)CCN1C(C)=O
InChIInChI=1S/C20H26N4O4/c1-14(25)24-9-8-23(13-18(24)19(26)21-2)20(27)16-12-22(10-11-28-3)17-7-5-4-6-15(16)17/h4-7,12,18H,8-11,13H2,1-3H3,(H,21,26)
InChIKeyKVTWEJYOMXOPTI-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.71
Rot. Bonds5

About 1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide

1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide (PubChem CID 110086030) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide
PubChem CID110086030
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cn(CCOC)c3ccccc23)CCN1C(C)=O
InChIInChI=1S/C20H26N4O4/c1-14(25)24-9-8-23(13-18(24)19(26)21-2)20(27)16-12-22(10-11-28-3)17-7-5-4-6-15(16)17/h4-7,12,18H,8-11,13H2,1-3H3,(H,21,26)
InChIKeyKVTWEJYOMXOPTI-UHFFFAOYSA-N
XLogP0.71
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide
CID 56819723
(3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid
CID 125133249
(2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide
CID 125024551
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone
CID 71754385
N-[(S)-[1-[1-(2-methoxyethyl)indole-3-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 95854291
[5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 89110023
N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide
CID 119032779
1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide
CID 71883345
3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701315
1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145
4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
2-(2-methoxyethyl)-4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]isoquinolin-1-one
CID 71964720

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide (CID 110086030) is 1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide is CNC(=O)C1CN(C(=O)c2cn(CCOC)c3ccccc23)CCN1C(C)=O.
What is the InChIKey of 1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is KVTWEJYOMXOPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-14(25)24-9-8-23(13-18(24)19(26)21-2)20(27)16-12-22(10-11-28-3)17-7-5-4-6-15(16)17/h4-7,12,18H,8-11,13H2,1-3H3,(H,21,26).
What are the key properties of 1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide?
1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 110086030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).