1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine

C26H33N5O — CID 28955712

IUPAC1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(-n4cccn4)cc3)C2)CC1
InChIInChI=1S/C26H33N5O/c1-32-26-8-3-2-7-25(26)30-18-16-29(17-19-30)24-6-4-14-28(21-24)20-22-9-11-23(12-10-22)31-15-5-13-27-31/h2-3,5,7-13,15,24H,4,6,14,16-21H2,1H3/t24-/m1/s1
InChIKeyAZKWZUHYGCCIQV-XMMPIXPASA-N
MW431.58 g/mol
LogP3.67
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine

1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine (PubChem CID 28955712) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine
PubChem CID28955712
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(-n4cccn4)cc3)C2)CC1
InChIInChI=1S/C26H33N5O/c1-32-26-8-3-2-7-25(26)30-18-16-29(17-19-30)24-6-4-14-28(21-24)20-22-9-11-23(12-10-22)31-15-5-13-27-31/h2-3,5,7-13,15,24H,4,6,14,16-21H2,1H3/t24-/m1/s1
InChIKeyAZKWZUHYGCCIQV-XMMPIXPASA-N
XLogP3.67
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45216724
1-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 28685153
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 29219340
1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45217219
1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 29021888
1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 95709049
4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine
CID 45219237
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 1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine (CID 28955712) is 1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine is COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(-n4cccn4)cc3)C2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine?
The InChIKey is AZKWZUHYGCCIQV-XMMPIXPASA-N. The full InChI is InChI=1S/C26H33N5O/c1-32-26-8-3-2-7-25(26)30-18-16-29(17-19-30)24-6-4-14-28(21-24)20-22-9-11-23(12-10-22)31-15-5-13-27-31/h2-3,5,7-13,15,24H,4,6,14,16-21H2,1H3/t24-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine?
1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine has a molecular weight of 431.58 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine is sourced from PubChem (CID 28955712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).