2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide

C24H30N4O2 — CID 46967219

IUPAC2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide
SMILESCOc1cccc(CN2CCN(Cc3cn(CC(N)=O)c4ccccc34)[C@@H](C)C2)c1
InChIInChI=1S/C24H30N4O2/c1-18-13-26(14-19-6-5-7-21(12-19)30-2)10-11-27(18)15-20-16-28(17-24(25)29)23-9-4-3-8-22(20)23/h3-9,12,16,18H,10-11,13-15,17H2,1-2H3,(H2,25,29)/t18-/m0/s1
InChIKeyVJXKUNOPIUFFIJ-SFHVURJKSA-N
MW406.53 g/mol
LogP2.84
Rot. Bonds7

About 2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide

2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide (PubChem CID 46967219) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide
PubChem CID46967219
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide
SMILESCOc1cccc(CN2CCN(Cc3cn(CC(N)=O)c4ccccc34)[C@@H](C)C2)c1
InChIInChI=1S/C24H30N4O2/c1-18-13-26(14-19-6-5-7-21(12-19)30-2)10-11-27(18)15-20-16-28(17-24(25)29)23-9-4-3-8-22(20)23/h3-9,12,16,18H,10-11,13-15,17H2,1-2H3,(H2,25,29)/t18-/m0/s1
InChIKeyVJXKUNOPIUFFIJ-SFHVURJKSA-N
XLogP2.84
TPSA63.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
CID 46967190
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
(2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 91073519
chloro (2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoate
CID 68812855
2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 16671279
2-[3-[[(3S)-3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 42194573
2-(2-fluorophenyl)-1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 16671123
(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95292862
2-[3-[[(3S)-3-propoxypiperidin-1-yl]methyl]indol-1-yl]acetamide
CID 51500199
2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide
CID 46990395
2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
CID 51596931
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide?
The IUPAC name of 2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide (CID 46967219) is 2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide is COc1cccc(CN2CCN(Cc3cn(CC(N)=O)c4ccccc34)[C@@H](C)C2)c1.
What is the InChIKey of 2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide?
The InChIKey is VJXKUNOPIUFFIJ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18-13-26(14-19-6-5-7-21(12-19)30-2)10-11-27(18)15-20-16-28(17-24(25)29)23-9-4-3-8-22(20)23/h3-9,12,16,18H,10-11,13-15,17H2,1-2H3,(H2,25,29)/t18-/m0/s1.
What are the key properties of 2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide?
2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide is sourced from PubChem (CID 46967219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).