N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide

C21H30N4O2 — CID 10714235

IUPACN-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide
SMILESCOc1ccccc1N1CCN(Cc2ccc(CN(C)C(C)=O)n2C)CC1
InChIInChI=1S/C21H30N4O2/c1-17(26)22(2)15-18-9-10-19(23(18)3)16-24-11-13-25(14-12-24)20-7-5-6-8-21(20)27-4/h5-10H,11-16H2,1-4H3
InChIKeyBJNGJVFHWCCTQX-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.33
Rot. Bonds6

About N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide

N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide (PubChem CID 10714235) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide
PubChem CID10714235
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide
SMILESCOc1ccccc1N1CCN(Cc2ccc(CN(C)C(C)=O)n2C)CC1
InChIInChI=1S/C21H30N4O2/c1-17(26)22(2)15-18-9-10-19(23(18)3)16-24-11-13-25(14-12-24)20-7-5-6-8-21(20)27-4/h5-10H,11-16H2,1-4H3
InChIKeyBJNGJVFHWCCTQX-UHFFFAOYSA-N
XLogP2.33
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide (CID 10714235) is N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide is COc1ccccc1N1CCN(Cc2ccc(CN(C)C(C)=O)n2C)CC1.
What is the InChIKey of N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide?
The InChIKey is BJNGJVFHWCCTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-17(26)22(2)15-18-9-10-19(23(18)3)16-24-11-13-25(14-12-24)20-7-5-6-8-21(20)27-4/h5-10H,11-16H2,1-4H3.
What are the key properties of N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide?
N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide has a molecular weight of 370.50 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 10714235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).