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

C19H26N4O2 — CID 71781139

IUPACN-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(Cn3ccnc3C)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-3-25-18-6-4-17(5-7-18)21-19(24)22-11-8-16(9-12-22)14-23-13-10-20-15(23)2/h4-7,10,13,16H,3,8-9,11-12,14H2,1-2H3,(H,21,24)
InChIKeyINYHRVQJSMUTTF-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.53
Rot. Bonds5

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

N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 71781139) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
PubChem CID71781139
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(Cn3ccnc3C)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-3-25-18-6-4-17(5-7-18)21-19(24)22-11-8-16(9-12-22)14-23-13-10-20-15(23)2/h4-7,10,13,16H,3,8-9,11-12,14H2,1-2H3,(H,21,24)
InChIKeyINYHRVQJSMUTTF-UHFFFAOYSA-N
XLogP3.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90493104
N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494071
N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494748
N-(4-acetamidophenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494672
N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781145
N-(4-fluorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494299
N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 72877104
4-[(2-methylimidazol-1-yl)methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 71781142
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 43055653
N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494087

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide (CID 71781139) is N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC(Cn3ccnc3C)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is INYHRVQJSMUTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-25-18-6-4-17(5-7-18)21-19(24)22-11-8-16(9-12-22)14-23-13-10-20-15(23)2/h4-7,10,13,16H,3,8-9,11-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide?
N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71781139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).