1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide

C22H26N6O2 — CID 90520324

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
InChIInChI=1S/C22H26N6O2/c1-30-19-4-2-17(3-5-19)6-9-24-22(29)18-7-11-27(12-8-18)20-14-21(26-15-25-20)28-13-10-23-16-28/h2-5,10,13-16,18H,6-9,11-12H2,1H3,(H,24,29)
InChIKeyQYGSZXCEPGJOEL-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.25
Rot. Bonds7

About 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 90520324) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID90520324
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
InChIInChI=1S/C22H26N6O2/c1-30-19-4-2-17(3-5-19)6-9-24-22(29)18-7-11-27(12-8-18)20-14-21(26-15-25-20)28-13-10-23-16-28/h2-5,10,13-16,18H,6-9,11-12H2,1H3,(H,24,29)
InChIKeyQYGSZXCEPGJOEL-UHFFFAOYSA-N
XLogP2.25
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520435
N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 56764930
N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520297
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide
CID 90520452
N-(2-pyridin-4-ylethyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600551
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 56764920
N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519783
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 90520313
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 30362082
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519676
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 90520324) is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is QYGSZXCEPGJOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-30-19-4-2-17(3-5-19)6-9-24-22(29)18-7-11-27(12-8-18)20-14-21(26-15-25-20)28-13-10-23-16-28/h2-5,10,13-16,18H,6-9,11-12H2,1H3,(H,24,29).
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 90520324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).