4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide

C24H36N4O — CID 4997079

IUPAC4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(N(C)C)cc2)c(C(N)=O)c(C)n1CCN1CCCCC1
InChIInChI=1S/C24H36N4O/c1-5-9-21-23(19-10-12-20(13-11-19)26(3)4)22(24(25)29)18(2)28(21)17-16-27-14-7-6-8-15-27/h10-13H,5-9,14-17H2,1-4H3,(H2,25,29)
InChIKeyGECQXGUSICOXLT-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.07
Rot. Bonds8

About 4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide

4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide (PubChem CID 4997079) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide
PubChem CID4997079
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC Name4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(N(C)C)cc2)c(C(N)=O)c(C)n1CCN1CCCCC1
InChIInChI=1S/C24H36N4O/c1-5-9-21-23(19-10-12-20(13-11-19)26(3)4)22(24(25)29)18(2)28(21)17-16-27-14-7-6-8-15-27/h10-13H,5-9,14-17H2,1-4H3,(H2,25,29)
InChIKeyGECQXGUSICOXLT-UHFFFAOYSA-N
XLogP4.07
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3599346
2-methyl-4-(4-methylphenyl)-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3758557
4-[4-(dimethylamino)phenyl]-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3666934
4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3668885
5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3483517
4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3741634
2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide
CID 59526415
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 3828892
2-methyl-5-pentyl-4-(3-phenoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3814423
4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide
CID 5019028
methyl 4-(1-butyl-4-carbamoyl-5-methyl-2-propylpyrrol-3-yl)benzoate
CID 3578013

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide (CID 4997079) is 4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide is CCCc1c(-c2ccc(N(C)C)cc2)c(C(N)=O)c(C)n1CCN1CCCCC1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide?
The InChIKey is GECQXGUSICOXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-5-9-21-23(19-10-12-20(13-11-19)26(3)4)22(24(25)29)18(2)28(21)17-16-27-14-7-6-8-15-27/h10-13H,5-9,14-17H2,1-4H3,(H2,25,29).
What are the key properties of 4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide?
4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide has a molecular weight of 396.58 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide is sourced from PubChem (CID 4997079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).