N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C22H30N4O2 — CID 38792102

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)C2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-22(2,3)18-4-6-19(7-5-18)28-15-12-25-21(27)17-8-13-26(14-9-17)20-16-23-10-11-24-20/h4-7,10-11,16-17H,8-9,12-15H2,1-3H3,(H,25,27)
InChIKeyXUHLAYCACBELFZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 38792102) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID38792102
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)C2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-22(2,3)18-4-6-19(7-5-18)28-15-12-25-21(27)17-8-13-26(14-9-17)20-16-23-10-11-24-20/h4-7,10-11,16-17H,8-9,12-15H2,1-3H3,(H,25,27)
InChIKeyXUHLAYCACBELFZ-UHFFFAOYSA-N
XLogP3.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31336587
N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 95623720
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437
N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 119549612
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118974
N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222636
N-[2-(N-methylanilino)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134035168
N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 146123959
N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 86925418
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134007284

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 38792102) is N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is CC(C)(C)c1ccc(OCCNC(=O)C2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is XUHLAYCACBELFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-22(2,3)18-4-6-19(7-5-18)28-15-12-25-21(27)17-8-13-26(14-9-17)20-16-23-10-11-24-20/h4-7,10-11,16-17H,8-9,12-15H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 38792102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).