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

C18H33N5O — CID 53181555

IUPACN-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1nc(C)n(C2CCN(C)CC2)c1C
InChIInChI=1S/C18H33N5O/c1-6-22(7-2)13-10-19-18(24)17-14(3)23(15(4)20-17)16-8-11-21(5)12-9-16/h16H,6-13H2,1-5H3,(H,19,24)
InChIKeyBAWQGNAGZJZKQA-UHFFFAOYSA-N
MW335.50 g/mol
LogP1.84
Rot. Bonds7

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

N-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 53181555) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID53181555
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC NameN-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1nc(C)n(C2CCN(C)CC2)c1C
InChIInChI=1S/C18H33N5O/c1-6-22(7-2)13-10-19-18(24)17-14(3)23(15(4)20-17)16-8-11-21(5)12-9-16/h16H,6-13H2,1-5H3,(H,19,24)
InChIKeyBAWQGNAGZJZKQA-UHFFFAOYSA-N
XLogP1.84
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide (CID 53181555) is N-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide is CCN(CC)CCNC(=O)c1nc(C)n(C2CCN(C)CC2)c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The InChIKey is BAWQGNAGZJZKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-6-22(7-2)13-10-19-18(24)17-14(3)23(15(4)20-17)16-8-11-21(5)12-9-16/h16H,6-13H2,1-5H3,(H,19,24).
What are the key properties of N-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
N-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 335.50 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53181555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).