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

C24H34N4O — CID 15124074

IUPAC1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one
SMILESCCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
InChIInChI=1S/C24H34N4O/c1-3-20-8-4-5-9-23(20)27-16-14-26(15-17-27)18-21-11-12-22(25(21)2)19-28-13-7-6-10-24(28)29/h4-5,8-9,11-12H,3,6-7,10,13-19H2,1-2H3
InChIKeyVAIWZWZRCSJKTP-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.42
Rot. Bonds6

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

1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one (PubChem CID 15124074) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one
PubChem CID15124074
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one
SMILESCCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
InChIInChI=1S/C24H34N4O/c1-3-20-8-4-5-9-23(20)27-16-14-26(15-17-27)18-21-11-12-22(25(21)2)19-28-13-7-6-10-24(28)29/h4-5,8-9,11-12H,3,6-7,10,13-19H2,1-2H3
InChIKeyVAIWZWZRCSJKTP-UHFFFAOYSA-N
XLogP3.42
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one (CID 15124074) is 1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one is CCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1.
What is the InChIKey of 1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one?
The InChIKey is VAIWZWZRCSJKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-3-20-8-4-5-9-23(20)27-16-14-26(15-17-27)18-21-11-12-22(25(21)2)19-28-13-7-6-10-24(28)29/h4-5,8-9,11-12H,3,6-7,10,13-19H2,1-2H3.
What are the key properties of 1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one?
1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one has a molecular weight of 394.56 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one is sourced from PubChem (CID 15124074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).