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

C24H25BrN4O2 — CID 92884432

IUPAC(3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(Br)c(C)c3)C2)cc1
InChIInChI=1S/C24H25BrN4O2/c1-16-5-8-20(9-6-16)31-24-22(26-11-12-27-24)29-13-3-4-18(15-29)23(30)28-19-7-10-21(25)17(2)14-19/h5-12,14,18H,3-4,13,15H2,1-2H3,(H,28,30)/t18-/m1/s1
InChIKeyJAPXQBATKJPNSO-GOSISDBHSA-N
MW481.39 g/mol
LogP5.50
Rot. Bonds5

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

(3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 92884432) has the molecular formula C24H25BrN4O2 and a molecular weight of 481.39 g/mol. Its IUPAC name is (3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
PubChem CID92884432
Molecular FormulaC24H25BrN4O2
Molecular Weight481.39 g/mol
Exact Mass480.12
IUPAC Name(3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(Br)c(C)c3)C2)cc1
InChIInChI=1S/C24H25BrN4O2/c1-16-5-8-20(9-6-16)31-24-22(26-11-12-27-24)29-13-3-4-18(15-29)23(30)28-19-7-10-21(25)17(2)14-19/h5-12,14,18H,3-4,13,15H2,1-2H3,(H,28,30)/t18-/m1/s1
InChIKeyJAPXQBATKJPNSO-GOSISDBHSA-N
XLogP5.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050387
(3R)-N-(3-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050385
(3R)-N-(4-ethylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050382
(3R)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 95050506
N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 50835943
(3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897343
N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834660
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884416
(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884417
(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050432
(3R)-N-(4-bromo-2-methylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897295
1-[3-(4-methylphenoxy)pyrazin-2-yl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 50836078

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (CID 92884432) is (3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(Br)c(C)c3)C2)cc1.
What is the InChIKey of (3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The InChIKey is JAPXQBATKJPNSO-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25BrN4O2/c1-16-5-8-20(9-6-16)31-24-22(26-11-12-27-24)29-13-3-4-18(15-29)23(30)28-19-7-10-21(25)17(2)14-19/h5-12,14,18H,3-4,13,15H2,1-2H3,(H,28,30)/t18-/m1/s1.
What are the key properties of (3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
(3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 481.39 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92884432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).