N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide

C19H26N4O2 — CID 10315346

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cccn2C)CC1
InChIInChI=1S/C19H26N4O2/c1-21-10-5-7-17(21)19(24)20-9-11-22-12-14-23(15-13-22)16-6-3-4-8-18(16)25-2/h3-8,10H,9,11-15H2,1-2H3,(H,20,24)
InChIKeyUQDFPTKPHQUEMX-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.59
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 10315346) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID10315346
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cccn2C)CC1
InChIInChI=1S/C19H26N4O2/c1-21-10-5-7-17(21)19(24)20-9-11-22-12-14-23(15-13-22)16-6-3-4-8-18(16)25-2/h3-8,10H,9,11-15H2,1-2H3,(H,20,24)
InChIKeyUQDFPTKPHQUEMX-UHFFFAOYSA-N
XLogP1.59
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide (CID 10315346) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide is COc1ccccc1N1CCN(CCNC(=O)c2cccn2C)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is UQDFPTKPHQUEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-21-10-5-7-17(21)19(24)20-9-11-22-12-14-23(15-13-22)16-6-3-4-8-18(16)25-2/h3-8,10H,9,11-15H2,1-2H3,(H,20,24).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 10315346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).