1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C27H31N5O2 — CID 53027086

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CN2CC=C(c3cnn(-c4ccccc4)c3)CC2)CC1
InChIInChI=1S/C27H31N5O2/c1-34-26-10-6-5-9-25(26)30-15-17-31(18-16-30)27(33)21-29-13-11-22(12-14-29)23-19-28-32(20-23)24-7-3-2-4-8-24/h2-11,19-20H,12-18,21H2,1H3
InChIKeyIWBMZWUROJZDHE-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.32
Rot. Bonds6

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 53027086) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID53027086
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CN2CC=C(c3cnn(-c4ccccc4)c3)CC2)CC1
InChIInChI=1S/C27H31N5O2/c1-34-26-10-6-5-9-25(26)30-15-17-31(18-16-30)27(33)21-29-13-11-22(12-14-29)23-19-28-32(20-23)24-7-3-2-4-8-24/h2-11,19-20H,12-18,21H2,1H3
InChIKeyIWBMZWUROJZDHE-UHFFFAOYSA-N
XLogP3.32
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 53027244
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9069026
N-(2-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027049
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8786562
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46547494
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 38168481
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110688170
1-[4-[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 118716867
N-[(2-fluorophenyl)methyl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027218
2-isocyano-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 12017077
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 53027086) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)CN2CC=C(c3cnn(-c4ccccc4)c3)CC2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is IWBMZWUROJZDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-34-26-10-6-5-9-25(26)30-15-17-31(18-16-30)27(33)21-29-13-11-22(12-14-29)23-19-28-32(20-23)24-7-3-2-4-8-24/h2-11,19-20H,12-18,21H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 457.58 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 53027086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).