2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole

C26H34N4O — CID 29219340

IUPAC2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(Cc3[nH]c4ccccc4c3C)C2)CC1
InChIInChI=1S/C26H34N4O/c1-20-22-9-3-4-10-23(22)27-24(20)19-28-13-7-8-21(18-28)29-14-16-30(17-15-29)25-11-5-6-12-26(25)31-2/h3-6,9-12,21,27H,7-8,13-19H2,1-2H3/t21-/m1/s1
InChIKeyPSWSZLNEMPJBJV-OAQYLSRUSA-N
MW418.59 g/mol
LogP4.27
Rot. Bonds5

About 2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole

2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole (PubChem CID 29219340) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole.

Molecular Properties

Compound Name2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
PubChem CID29219340
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(Cc3[nH]c4ccccc4c3C)C2)CC1
InChIInChI=1S/C26H34N4O/c1-20-22-9-3-4-10-23(22)27-24(20)19-28-13-7-8-21(18-28)29-14-16-30(17-15-29)25-11-5-6-12-26(25)31-2/h3-6,9-12,21,27H,7-8,13-19H2,1-2H3/t21-/m1/s1
InChIKeyPSWSZLNEMPJBJV-OAQYLSRUSA-N
XLogP4.27
TPSA34.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 31048886
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
1-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 28685153
1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 29021888
1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45216724
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857188
1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 95709049
1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine
CID 28955712
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 51636421

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole?
The IUPAC name of 2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole (CID 29219340) is 2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole.
What is the SMILES notation for 2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole?
The canonical SMILES for 2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole is COc1ccccc1N1CCN([C@@H]2CCCN(Cc3[nH]c4ccccc4c3C)C2)CC1.
What is the InChIKey of 2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole?
The InChIKey is PSWSZLNEMPJBJV-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H34N4O/c1-20-22-9-3-4-10-23(22)27-24(20)19-28-13-7-8-21(18-28)29-14-16-30(17-15-29)25-11-5-6-12-26(25)31-2/h3-6,9-12,21,27H,7-8,13-19H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole?
2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole has a molecular weight of 418.59 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole is sourced from PubChem (CID 29219340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).