4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide

C21H24N4O2 — CID 16803740

IUPAC4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C21H24N4O2/c1-23-15-17(16-7-3-4-8-18(16)23)22-21(26)25-13-11-24(12-14-25)19-9-5-6-10-20(19)27-2/h3-10,15H,11-14H2,1-2H3,(H,22,26)
InChIKeyOXYYNTUHLSGESP-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.54
Rot. Bonds3

About 4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide

4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide (PubChem CID 16803740) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide
PubChem CID16803740
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C21H24N4O2/c1-23-15-17(16-7-3-4-8-18(16)23)22-21(26)25-13-11-24(12-14-25)19-9-5-6-10-20(19)27-2/h3-10,15H,11-14H2,1-2H3,(H,22,26)
InChIKeyOXYYNTUHLSGESP-UHFFFAOYSA-N
XLogP3.54
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
N-[2-(dimethylamino)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 71941690
4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 119074163
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374
4-(2-methoxyphenyl)-N-pyrazin-2-ylpiperazine-1-carboxamide
CID 110492522
(5-methoxy-1-methylindol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71701857
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 18663153
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580
(3S)-3-(3,4-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(1-methylindol-3-yl)propan-1-one
CID 93122466
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 18663086
4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 51115408

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide (CID 16803740) is 4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)Nc2cn(C)c3ccccc23)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide?
The InChIKey is OXYYNTUHLSGESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-23-15-17(16-7-3-4-8-18(16)23)22-21(26)25-13-11-24(12-14-25)19-9-5-6-10-20(19)27-2/h3-10,15H,11-14H2,1-2H3,(H,22,26).
What are the key properties of 4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 16803740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).