2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide

C24H30N4O3 — CID 46967190

IUPAC2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
SMILESCOc1cccc(OCCN2CCN(Cc3cn(CC(N)=O)c4ccccc34)CC2)c1
InChIInChI=1S/C24H30N4O3/c1-30-20-5-4-6-21(15-20)31-14-13-26-9-11-27(12-10-26)16-19-17-28(18-24(25)29)23-8-3-2-7-22(19)23/h2-8,15,17H,9-14,16,18H2,1H3,(H2,25,29)
InChIKeyBPAJERQDOZTRKZ-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.33
Rot. Bonds9

About 2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide

2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide (PubChem CID 46967190) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
PubChem CID46967190
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
SMILESCOc1cccc(OCCN2CCN(Cc3cn(CC(N)=O)c4ccccc34)CC2)c1
InChIInChI=1S/C24H30N4O3/c1-30-20-5-4-6-21(15-20)31-14-13-26-9-11-27(12-10-26)16-19-17-28(18-24(25)29)23-8-3-2-7-22(19)23/h2-8,15,17H,9-14,16,18H2,1H3,(H2,25,29)
InChIKeyBPAJERQDOZTRKZ-UHFFFAOYSA-N
XLogP2.33
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide
CID 46967219
2-hydroxypropane-1,2,3-tricarboxylic acid;2-[3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
CID 171671790
2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium
CID 149136552
2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
CID 51596931
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone
CID 71725059
(2R)-2-amino-1-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 120873129
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 71725004
2-[3-[[(3S)-3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 42194573
2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone
CID 3393871
2-[3-[[(3S)-3-propoxypiperidin-1-yl]methyl]indol-1-yl]acetamide
CID 51500199
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide?
The IUPAC name of 2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide (CID 46967190) is 2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide is COc1cccc(OCCN2CCN(Cc3cn(CC(N)=O)c4ccccc34)CC2)c1.
What is the InChIKey of 2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide?
The InChIKey is BPAJERQDOZTRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-30-20-5-4-6-21(15-20)31-14-13-26-9-11-27(12-10-26)16-19-17-28(18-24(25)29)23-8-3-2-7-22(19)23/h2-8,15,17H,9-14,16,18H2,1H3,(H2,25,29).
What are the key properties of 2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide?
2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide is sourced from PubChem (CID 46967190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).