4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide

C25H37N3O — CID 3668885

IUPAC4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(C(C)(C)C)cc2)c(C(N)=O)c(C)n1CCN1CCCCC1
InChIInChI=1S/C25H37N3O/c1-6-21-23(19-10-12-20(13-11-19)25(3,4)5)22(24(26)29)18(2)28(21)17-16-27-14-8-7-9-15-27/h10-13H,6-9,14-17H2,1-5H3,(H2,26,29)
InChIKeyNAMVOKNHPKHGRH-UHFFFAOYSA-N
MW395.59 g/mol
LogP4.91
Rot. Bonds6

About 4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide

4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide (PubChem CID 3668885) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
PubChem CID3668885
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(C(C)(C)C)cc2)c(C(N)=O)c(C)n1CCN1CCCCC1
InChIInChI=1S/C25H37N3O/c1-6-21-23(19-10-12-20(13-11-19)25(3,4)5)22(24(26)29)18(2)28(21)17-16-27-14-8-7-9-15-27/h10-13H,6-9,14-17H2,1-5H3,(H2,26,29)
InChIKeyNAMVOKNHPKHGRH-UHFFFAOYSA-N
XLogP4.91
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-(4-methylphenyl)-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3758557
4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide
CID 4997079
4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3599346
5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3474849
5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3483517
1-butyl-5-ethyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3773578
2-methyl-5-pentyl-4-(3-phenoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3814423
5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 3608616
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-undecylpyrrole-3-carboxamide
CID 3864069
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
5-ethyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3836326
methyl 4-[4-carbamoyl-2-ethyl-1-(3-hydroxypropyl)-5-methylpyrrol-3-yl]benzoate
CID 3781922

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide (CID 3668885) is 4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide is CCc1c(-c2ccc(C(C)(C)C)cc2)c(C(N)=O)c(C)n1CCN1CCCCC1.
What is the InChIKey of 4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The InChIKey is NAMVOKNHPKHGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O/c1-6-21-23(19-10-12-20(13-11-19)25(3,4)5)22(24(26)29)18(2)28(21)17-16-27-14-8-7-9-15-27/h10-13H,6-9,14-17H2,1-5H3,(H2,26,29).
What are the key properties of 4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide has a molecular weight of 395.59 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3668885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).