2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide

C21H38N6O — CID 53181560

IUPAC2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide
SMILESCCCN1CCN(CCNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)CC1
InChIInChI=1S/C21H38N6O/c1-5-9-25-13-15-26(16-14-25)12-8-22-21(28)20-17(2)27(18(3)23-20)19-6-10-24(4)11-7-19/h19H,5-16H2,1-4H3,(H,22,28)
InChIKeyYTXIIMNDDJZVDU-UHFFFAOYSA-N
MW390.58 g/mol
LogP1.52
Rot. Bonds7

About 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide

2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide (PubChem CID 53181560) has the molecular formula C21H38N6O and a molecular weight of 390.58 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide
PubChem CID53181560
Molecular FormulaC21H38N6O
Molecular Weight390.58 g/mol
Exact Mass390.31
IUPAC Name2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide
SMILESCCCN1CCN(CCNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)CC1
InChIInChI=1S/C21H38N6O/c1-5-9-25-13-15-26(16-14-25)12-8-22-21(28)20-17(2)27(18(3)23-20)19-6-10-24(4)11-7-19/h19H,5-16H2,1-4H3,(H,22,28)
InChIKeyYTXIIMNDDJZVDU-UHFFFAOYSA-N
XLogP1.52
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide (CID 53181560) is 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide is CCCN1CCN(CCNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)CC1.
What is the InChIKey of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide?
The InChIKey is YTXIIMNDDJZVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N6O/c1-5-9-25-13-15-26(16-14-25)12-8-22-21(28)20-17(2)27(18(3)23-20)19-6-10-24(4)11-7-19/h19H,5-16H2,1-4H3,(H,22,28).
What are the key properties of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide?
2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide has a molecular weight of 390.58 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 53181560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).