N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

C24H25BrN4O3 — CID 50834243

IUPACN-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOc1cccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C24H25BrN4O3/c1-31-20-3-2-4-21(15-20)32-24-22(26-11-12-27-24)29-13-9-18(10-14-29)23(30)28-16-17-5-7-19(25)8-6-17/h2-8,11-12,15,18H,9-10,13-14,16H2,1H3,(H,28,30)
InChIKeyLFVXEXPEJPBGOD-UHFFFAOYSA-N
MW497.39 g/mol
LogP4.57
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 50834243) has the molecular formula C24H25BrN4O3 and a molecular weight of 497.39 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID50834243
Molecular FormulaC24H25BrN4O3
Molecular Weight497.39 g/mol
Exact Mass496.11
IUPAC NameN-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOc1cccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C24H25BrN4O3/c1-31-20-3-2-4-21(15-20)32-24-22(26-11-12-27-24)29-13-9-18(10-14-29)23(30)28-16-17-5-7-19(25)8-6-17/h2-8,11-12,15,18H,9-10,13-14,16H2,1H3,(H,28,30)
InChIKeyLFVXEXPEJPBGOD-UHFFFAOYSA-N
XLogP4.57
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 50834328
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392153
N-(3-ethylphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834418
N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834258
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392089
N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834387
N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(4-ethylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834330
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834297
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781083
1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 50797278
1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341587

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (CID 50834243) is N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is COc1cccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(Br)cc3)CC2)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is LFVXEXPEJPBGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN4O3/c1-31-20-3-2-4-21(15-20)32-24-22(26-11-12-27-24)29-13-9-18(10-14-29)23(30)28-16-17-5-7-19(25)8-6-17/h2-8,11-12,15,18H,9-10,13-14,16H2,1H3,(H,28,30).
What are the key properties of N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 497.39 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50834243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).