N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide

C29H38N4O2 — CID 49863743

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-propylpyrrole-3-carboxamide
SMILESCCCN1C(=C(C=C1C2=CC=CC=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C
InChIInChI=1S/C29H38N4O2/c1-4-16-33-23(2)25(22-27(33)24-11-6-5-7-12-24)29(34)30-15-10-17-31-18-20-32(21-19-31)26-13-8-9-14-28(26)35-3/h5-9,11-14,22H,4,10,15-21H2,1-3H3,(H,30,34)
InChIKeyLXGOBFZKOTZTKI-UHFFFAOYSA-N
MW474.60 g/mol
LogP4.80
Rot. Bonds10

About N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide

N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide (PubChem CID 49863743) has the molecular formula C29H38N4O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-propylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide
PubChem CID49863743
Molecular FormulaC29H38N4O2
Molecular Weight474.60 g/mol
Exact Mass474.30
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-propylpyrrole-3-carboxamide
SMILESCCCN1C(=C(C=C1C2=CC=CC=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C
InChIInChI=1S/C29H38N4O2/c1-4-16-33-23(2)25(22-27(33)24-11-6-5-7-12-24)29(34)30-15-10-17-31-18-20-32(21-19-31)26-13-8-9-14-28(26)35-3/h5-9,11-14,22H,4,10,15-21H2,1-3H3,(H,30,34)
InChIKeyLXGOBFZKOTZTKI-UHFFFAOYSA-N
XLogP4.80
TPSA49.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity632

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide (CID 49863743) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-propylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide is CCCN1C(=C(C=C1C2=CC=CC=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C.
What is the InChIKey of N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide?
The InChIKey is LXGOBFZKOTZTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-4-16-33-23(2)25(22-27(33)24-11-6-5-7-12-24)29(34)30-15-10-17-31-18-20-32(21-19-31)26-13-8-9-14-28(26)35-3/h5-9,11-14,22H,4,10,15-21H2,1-3H3,(H,30,34).
What are the key properties of N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide?
N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide has a molecular weight of 474.60 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 49863743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).