5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide

C21H31N3OS — CID 3483517

IUPAC5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCN1CCCCC1
InChIInChI=1S/C21H31N3OS/c1-3-4-8-18-20(17-9-14-26-15-17)19(21(22)25)16(2)24(18)13-12-23-10-6-5-7-11-23/h9,14-15H,3-8,10-13H2,1-2H3,(H2,22,25)
InChIKeyKONSNDIXQHCZJN-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.45
Rot. Bonds8

About 5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide

5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide (PubChem CID 3483517) has the molecular formula C21H31N3OS and a molecular weight of 373.57 g/mol. Its IUPAC name is 5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide
PubChem CID3483517
Molecular FormulaC21H31N3OS
Molecular Weight373.57 g/mol
Exact Mass373.22
IUPAC Name5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCN1CCCCC1
InChIInChI=1S/C21H31N3OS/c1-3-4-8-18-20(17-9-14-26-15-17)19(21(22)25)16(2)24(18)13-12-23-10-6-5-7-11-23/h9,14-15H,3-8,10-13H2,1-2H3,(H2,22,25)
InChIKeyKONSNDIXQHCZJN-UHFFFAOYSA-N
XLogP4.45
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3599346
2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3564068
4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide
CID 4997079
2-methyl-5-pentyl-4-(3-phenoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3814423
4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3668885
5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide
CID 3861344
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
1-[(3,4-difluorophenyl)methyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3466776
4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3480119
methyl 4-[2-butyl-4-carbamoyl-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-3-yl]benzoate
CID 3854944
5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3474849

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide?
The IUPAC name of 5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide (CID 3483517) is 5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide is CCCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCN1CCCCC1.
What is the InChIKey of 5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide?
The InChIKey is KONSNDIXQHCZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3OS/c1-3-4-8-18-20(17-9-14-26-15-17)19(21(22)25)16(2)24(18)13-12-23-10-6-5-7-11-23/h9,14-15H,3-8,10-13H2,1-2H3,(H2,22,25).
What are the key properties of 5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide?
5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide has a molecular weight of 373.57 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3483517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).