1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one

C23H32N4O2 — CID 15724501

IUPAC1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one
SMILESCOc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
InChIInChI=1S/C23H32N4O2/c1-24-19(10-11-20(24)18-27-12-6-5-9-23(27)28)17-25-13-15-26(16-14-25)21-7-3-4-8-22(21)29-2/h3-4,7-8,10-11H,5-6,9,12-18H2,1-2H3
InChIKeyJRAIIPBUVORQLR-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.87
Rot. Bonds6

About 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one

1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one (PubChem CID 15724501) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one
PubChem CID15724501
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one
SMILESCOc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
InChIInChI=1S/C23H32N4O2/c1-24-19(10-11-20(24)18-27-12-6-5-9-23(27)28)17-25-13-15-26(16-14-25)21-7-3-4-8-22(21)29-2/h3-4,7-8,10-11H,5-6,9,12-18H2,1-2H3
InChIKeyJRAIIPBUVORQLR-UHFFFAOYSA-N
XLogP2.87
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one (CID 15724501) is 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one is COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1.
What is the InChIKey of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one?
The InChIKey is JRAIIPBUVORQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-24-19(10-11-20(24)18-27-12-6-5-9-23(27)28)17-25-13-15-26(16-14-25)21-7-3-4-8-22(21)29-2/h3-4,7-8,10-11H,5-6,9,12-18H2,1-2H3.
What are the key properties of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one?
1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one has a molecular weight of 396.54 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one is sourced from PubChem (CID 15724501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).