1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide

C26H30N4O2 — CID 92884014

IUPAC1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-18-7-9-21(10-8-18)20(3)29-25(31)22-11-15-30(16-12-22)24-26(28-14-13-27-24)32-23-6-4-5-19(2)17-23/h4-10,13-14,17,20,22H,11-12,15-16H2,1-3H3,(H,29,31)/t20-/m0/s1
InChIKeyABCWNQOMMUBXJO-FQEVSTJZSA-N
MW430.55 g/mol
LogP4.98
Rot. Bonds6

About 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide

1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 92884014) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID92884014
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-18-7-9-21(10-8-18)20(3)29-25(31)22-11-15-30(16-12-22)24-26(28-14-13-27-24)32-23-6-4-5-19(2)17-23/h4-10,13-14,17,20,22H,11-12,15-16H2,1-3H3,(H,29,31)/t20-/m0/s1
InChIKeyABCWNQOMMUBXJO-FQEVSTJZSA-N
XLogP4.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834297
1-[3-(4-methylphenoxy)pyrazin-2-yl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 50836078
N-(3,4-dimethylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834395
N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834326
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 50834252
(3S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95092374
1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 92883993
N-[(1R)-1-(4-methylphenyl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 93056018
N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834258
N-(2,4-difluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392060
N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834660
N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392077

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide (CID 92884014) is 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide is Cc1ccc([C@H](C)NC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is ABCWNQOMMUBXJO-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-7-9-21(10-8-18)20(3)29-25(31)22-11-15-30(16-12-22)24-26(28-14-13-27-24)32-23-6-4-5-19(2)17-23/h4-10,13-14,17,20,22H,11-12,15-16H2,1-3H3,(H,29,31)/t20-/m0/s1.
What are the key properties of 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 92884014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).