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

C26H30N4O2 — CID 95050515

IUPAC(3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1
InChIInChI=1S/C26H30N4O2/c1-3-20-10-12-21(13-11-20)17-29-25(31)22-8-6-16-30(18-22)24-26(28-15-14-27-24)32-23-9-5-4-7-19(23)2/h4-5,7,9-15,22H,3,6,8,16-18H2,1-2H3,(H,29,31)/t22-/m0/s1
InChIKeyVOTKTPRVMCFKJB-QFIPXVFZSA-N
MW430.55 g/mol
LogP4.67
Rot. Bonds7

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

(3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 95050515) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is (3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
PubChem CID95050515
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name(3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1
InChIInChI=1S/C26H30N4O2/c1-3-20-10-12-21(13-11-20)17-29-25(31)22-8-6-16-30(18-22)24-26(28-15-14-27-24)32-23-9-5-4-7-19(23)2/h4-5,7,9-15,22H,3,6,8,16-18H2,1-2H3,(H,29,31)/t22-/m0/s1
InChIKeyVOTKTPRVMCFKJB-QFIPXVFZSA-N
XLogP4.67
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050474
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 50836140
(3R)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 95050506
(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897328
ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate
CID 46392484
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392153
(3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050500
(3R)-N-(4-ethylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050382
(3R)-N-[(2-chlorophenyl)methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050375
(3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897343
(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050366
(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899054

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (CID 95050515) is (3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is CCc1ccc(CNC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1.
What is the InChIKey of (3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The InChIKey is VOTKTPRVMCFKJB-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-3-20-10-12-21(13-11-20)17-29-25(31)22-8-6-16-30(18-22)24-26(28-15-14-27-24)32-23-9-5-4-7-19(23)2/h4-5,7,9-15,22H,3,6,8,16-18H2,1-2H3,(H,29,31)/t22-/m0/s1.
What are the key properties of (3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
(3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95050515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).