N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide

C20H28N4O2 — CID 90494087

IUPACN-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(Cn2ccnc2CC)CC1
InChIInChI=1S/C20H28N4O2/c1-3-19-21-11-14-24(19)15-16-9-12-23(13-10-16)20(25)22-17-7-5-6-8-18(17)26-4-2/h5-8,11,14,16H,3-4,9-10,12-13,15H2,1-2H3,(H,22,25)
InChIKeyJHNQXFDTTNTILU-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.79
Rot. Bonds6

About N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide

N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 90494087) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
PubChem CID90494087
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(Cn2ccnc2CC)CC1
InChIInChI=1S/C20H28N4O2/c1-3-19-21-11-14-24(19)15-16-9-12-23(13-10-16)20(25)22-17-7-5-6-8-18(17)26-4-2/h5-8,11,14,16H,3-4,9-10,12-13,15H2,1-2H3,(H,22,25)
InChIKeyJHNQXFDTTNTILU-UHFFFAOYSA-N
XLogP3.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561867
N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494071
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 90493290
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 90493960
N-(2-ethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494653
N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide
CID 121151383
N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 90584758
N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166619185
(2-bromophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492757
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 90492768
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide (CID 90494087) is N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(Cn2ccnc2CC)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is JHNQXFDTTNTILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-19-21-11-14-24(19)15-16-9-12-23(13-10-16)20(25)22-17-7-5-6-8-18(17)26-4-2/h5-8,11,14,16H,3-4,9-10,12-13,15H2,1-2H3,(H,22,25).
What are the key properties of N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide?
N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 90494087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).