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

C20H36N6O — CID 53181557

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCCN1CCN(CCNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)CC1
InChIInChI=1S/C20H36N6O/c1-5-24-12-14-25(15-13-24)11-8-21-20(27)19-16(2)26(17(3)22-19)18-6-9-23(4)10-7-18/h18H,5-15H2,1-4H3,(H,21,27)
InChIKeyAVHCCIDLLNDVHV-UHFFFAOYSA-N
MW376.55 g/mol
LogP1.13
Rot. Bonds6

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

N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 53181557) has the molecular formula C20H36N6O and a molecular weight of 376.55 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID53181557
Molecular FormulaC20H36N6O
Molecular Weight376.55 g/mol
Exact Mass376.30
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCCN1CCN(CCNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)CC1
InChIInChI=1S/C20H36N6O/c1-5-24-12-14-25(15-13-24)11-8-21-20(27)19-16(2)26(17(3)22-19)18-6-9-23(4)10-7-18/h18H,5-15H2,1-4H3,(H,21,27)
InChIKeyAVHCCIDLLNDVHV-UHFFFAOYSA-N
XLogP1.13
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide (CID 53181557) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide is CCN1CCN(CCNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The InChIKey is AVHCCIDLLNDVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6O/c1-5-24-12-14-25(15-13-24)11-8-21-20(27)19-16(2)26(17(3)22-19)18-6-9-23(4)10-7-18/h18H,5-15H2,1-4H3,(H,21,27).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 376.55 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53181557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).